1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine

C17H26N2O — CID 95477353

IUPAC1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-20-16-8-6-15(7-9-16)17(14-4-2-3-5-14)19-12-10-18-11-13-19/h6-9,14,17-18H,2-5,10-13H2,1H3/t17-/m1/s1
InChIKeyVORHUGIJEFVCFV-QGZVFWFLSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds4

About 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine

1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine (PubChem CID 95477353) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
PubChem CID95477353
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-20-16-8-6-15(7-9-16)17(14-4-2-3-5-14)19-12-10-18-11-13-19/h6-9,14,17-18H,2-5,10-13H2,1H3/t17-/m1/s1
InChIKeyVORHUGIJEFVCFV-QGZVFWFLSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(S)-cyclobutyl-(4-phenoxyphenyl)methyl]piperazine
CID 171279707
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292277

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine (CID 95477353) is 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine is COc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is VORHUGIJEFVCFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-16-8-6-15(7-9-16)17(14-4-2-3-5-14)19-12-10-18-11-13-19/h6-9,14,17-18H,2-5,10-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 95477353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).