1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine

C18H28N2 — CID 95475271

IUPAC1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
SMILESCc1ccc([C@@H](C2CCCC2)N2CCNCC2)c(C)c1
InChIInChI=1S/C18H28N2/c1-14-7-8-17(15(2)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/t18-/m1/s1
InChIKeyBINRODHAYLSPDW-GOSISDBHSA-N
MW272.44 g/mol
LogP3.44
Rot. Bonds3

About 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine

1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine (PubChem CID 95475271) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
PubChem CID95475271
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
SMILESCc1ccc([C@@H](C2CCCC2)N2CCNCC2)c(C)c1
InChIInChI=1S/C18H28N2/c1-14-7-8-17(15(2)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/t18-/m1/s1
InChIKeyBINRODHAYLSPDW-GOSISDBHSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
CID 95465787
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-5-methylphenol
CID 171281745
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine (CID 95475271) is 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine is Cc1ccc([C@@H](C2CCCC2)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine?
The InChIKey is BINRODHAYLSPDW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-7-8-17(15(2)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/t18-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 95475271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).