1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride

C17H27Cl3N2O — CID 171283371

IUPAC1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc(Cl)cc1[C@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25ClN2O.2ClH/c1-21-16-7-6-14(18)12-15(16)17(13-4-2-3-5-13)20-10-8-19-9-11-20;;/h6-7,12-13,17,19H,2-5,8-11H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyYJMUDOFNTSZYGG-RMRYJAPISA-N
MW381.78 g/mol
LogP4.33
Rot. Bonds4

About 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride

1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride (PubChem CID 171283371) has the molecular formula C17H27Cl3N2O and a molecular weight of 381.78 g/mol. Its IUPAC name is 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
PubChem CID171283371
Molecular FormulaC17H27Cl3N2O
Molecular Weight381.78 g/mol
Exact Mass380.12
IUPAC Name1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESCOc1ccc(Cl)cc1[C@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25ClN2O.2ClH/c1-21-16-7-6-14(18)12-15(16)17(13-4-2-3-5-13)20-10-8-19-9-11-20;;/h6-7,12-13,17,19H,2-5,8-11H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyYJMUDOFNTSZYGG-RMRYJAPISA-N
XLogP4.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171296863
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
CID 171288017
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171276766
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride (CID 171283371) is 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride is COc1ccc(Cl)cc1[C@H](C1CCCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The InChIKey is YJMUDOFNTSZYGG-RMRYJAPISA-N. The full InChI is InChI=1S/C17H25ClN2O.2ClH/c1-21-16-7-6-14(18)12-15(16)17(13-4-2-3-5-13)20-10-8-19-9-11-20;;/h6-7,12-13,17,19H,2-5,8-11H2,1H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride?
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride has a molecular weight of 381.78 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).