1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride

C17H27Cl3N2 — CID 171294012

IUPAC1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCc1cc(Cl)ccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25ClN2.2ClH/c1-13-12-15(18)6-7-16(13)17(14-4-2-3-5-14)20-10-8-19-9-11-20;;/h6-7,12,14,17,19H,2-5,8-11H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyBIZQSTZHFHAFII-ZEECNFPPSA-N
MW365.78 g/mol
LogP4.63
Rot. Bonds3

About 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride

1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride (PubChem CID 171294012) has the molecular formula C17H27Cl3N2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
PubChem CID171294012
Molecular FormulaC17H27Cl3N2
Molecular Weight365.78 g/mol
Exact Mass364.12
IUPAC Name1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCc1cc(Cl)ccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25ClN2.2ClH/c1-13-12-15(18)6-7-16(13)17(14-4-2-3-5-14)20-10-8-19-9-11-20;;/h6-7,12,14,17,19H,2-5,8-11H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyBIZQSTZHFHAFII-ZEECNFPPSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride 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-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
CID 171165357

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride (CID 171294012) is 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride is Cc1cc(Cl)ccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The InChIKey is BIZQSTZHFHAFII-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H25ClN2.2ClH/c1-13-12-15(18)6-7-16(13)17(14-4-2-3-5-14)20-10-8-19-9-11-20;;/h6-7,12,14,17,19H,2-5,8-11H2,1H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride has a molecular weight of 365.78 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).