C1CNCCN(C1)CC2=CC=C(C=C2)Cl
CAS: 40389-65-9
Name: 1-[(4-chlorophenyl)methyl]-1,4-diazepane
SMILES: C1CNCCN(C1)CC2=CC=C(C=C2)Cl

Molecular Processing

Molecular formula
C12H17ClN2
Molecular weight
224.74
Exact mass
224.108
XLogP
2.14
TPSA
15.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.22

Supplementary Information

InChIKey: XUFLZPFWTDGFEG-UHFFFAOYSA-N
Synonyms
1-[(4-chlorophenyl)methyl]-1,4-diazepaneDTXSID505760631-((4-chlorophenyl)methyl)-1,4-diazepaneRefChem:428882DTXCID40526835100-539-21-(4-chlorobenzyl)-1,4-diazepane40389-65-9MFCD034075011-(4-chlorobenzyl)homopiperazineSCHEMBL2088672SCHEMBL6765816XUFLZPFWTDGFEG-UHFFFAOYSA-NQBA38965SBB056280AKOS000199013SY168431TS-03206EN300-25345G27578F0690911-[(4-chlorophenyl)methyl]-1,4-diazaperhydroepineZ203241938
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Involved in 5 reactions→

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