1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride

C17H25Cl2FN2 — CID 171163414

IUPAC1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C17H24ClFN2.ClH/c18-15-12-14(6-7-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;/h6-7,12-13,17,20H,1-5,8-11H2;1H/t17-;/m0./s1
InChIKeyDPCXBGBQAFQDFN-LMOVPXPDSA-N
MW347.31 g/mol
LogP4.43
Rot. Bonds3

About 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride

1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride (PubChem CID 171163414) has the molecular formula C17H25Cl2FN2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
PubChem CID171163414
Molecular FormulaC17H25Cl2FN2
Molecular Weight347.31 g/mol
Exact Mass346.14
IUPAC Name1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C17H24ClFN2.ClH/c18-15-12-14(6-7-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;/h6-7,12-13,17,20H,1-5,8-11H2;1H/t17-;/m0./s1
InChIKeyDPCXBGBQAFQDFN-LMOVPXPDSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171166960
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride (CID 171163414) is 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride is Cl.Fc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
The InChIKey is DPCXBGBQAFQDFN-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H24ClFN2.ClH/c18-15-12-14(6-7-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;/h6-7,12-13,17,20H,1-5,8-11H2;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride has a molecular weight of 347.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).