1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride

C18H30Cl2N2 — CID 171283985

IUPAC1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1ccc(C)c([C@H](C2CCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-14-7-8-15(2)17(13-14)18(16-5-3-4-6-16)20-11-9-19-10-12-20;;/h7-8,13,16,18-19H,3-6,9-12H2,1-2H3;2*1H/t18-;;/m0../s1
InChIKeyLBUIGYZXUUAQHO-NTEVMMBTSA-N
MW345.36 g/mol
LogP4.28
Rot. Bonds3

About 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171283985) has the molecular formula C18H30Cl2N2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171283985
Molecular FormulaC18H30Cl2N2
Molecular Weight345.36 g/mol
Exact Mass344.18
IUPAC Name1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1ccc(C)c([C@H](C2CCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-14-7-8-15(2)17(13-14)18(16-5-3-4-6-16)20-11-9-19-10-12-20;;/h7-8,13,16,18-19H,3-6,9-12H2,1-2H3;2*1H/t18-;;/m0../s1
InChIKeyLBUIGYZXUUAQHO-NTEVMMBTSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
CID 95465787
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171277175
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-5-methylphenol
CID 171281745
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride (CID 171283985) is 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride is Cc1ccc(C)c([C@H](C2CCCC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is LBUIGYZXUUAQHO-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H28N2.2ClH/c1-14-7-8-15(2)17(13-14)18(16-5-3-4-6-16)20-11-9-19-10-12-20;;/h7-8,13,16,18-19H,3-6,9-12H2,1-2H3;2*1H/t18-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 345.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171283985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).