1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine

C18H28N2 — CID 171288154

IUPAC1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
SMILESCc1cc(C)cc([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H28N2/c1-14-11-15(2)13-17(12-14)18(16-5-3-4-6-16)20-9-7-19-8-10-20/h11-13,16,18-19H,3-10H2,1-2H3/t18-/m1/s1
InChIKeyQFTHCIDBQKIMRQ-GOSISDBHSA-N
MW272.44 g/mol
LogP3.44
Rot. Bonds3

About 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine

1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine (PubChem CID 171288154) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
PubChem CID171288154
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
SMILESCc1cc(C)cc([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H28N2/c1-14-11-15(2)13-17(12-14)18(16-5-3-4-6-16)20-9-7-19-8-10-20/h11-13,16,18-19H,3-10H2,1-2H3/t18-/m1/s1
InChIKeyQFTHCIDBQKIMRQ-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-[(R)-(3,5-dimethylphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288161
4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-2,6-dimethylphenol
CID 171290267
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;hydrochloride
CID 171162869
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
2,6-ditert-butyl-4-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272270
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
2,6-ditert-butyl-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272272
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine (CID 171288154) is 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine is Cc1cc(C)cc([C@@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine?
The InChIKey is QFTHCIDBQKIMRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-11-15(2)13-17(12-14)18(16-5-3-4-6-16)20-9-7-19-8-10-20/h11-13,16,18-19H,3-10H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(3,5-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-(3,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 171288154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).