1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine

C18H28N2O2 — CID 171273356

IUPAC1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc([C@H](C2CCCC2)N2CCNCC2)c1OC
InChIInChI=1S/C18H28N2O2/c1-21-16-9-5-8-15(18(16)22-2)17(14-6-3-4-7-14)20-12-10-19-11-13-20/h5,8-9,14,17,19H,3-4,6-7,10-13H2,1-2H3/t17-/m0/s1
InChIKeyZYFNLNDUFBPICA-KRWDZBQOSA-N
MW304.43 g/mol
LogP2.84
Rot. Bonds5

About 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine

1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 171273356) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID171273356
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc([C@H](C2CCCC2)N2CCNCC2)c1OC
InChIInChI=1S/C18H28N2O2/c1-21-16-9-5-8-15(18(16)22-2)17(14-6-3-4-7-14)20-12-10-19-11-13-20/h5,8-9,14,17,19H,3-4,6-7,10-13H2,1-2H3/t17-/m0/s1
InChIKeyZYFNLNDUFBPICA-KRWDZBQOSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
CID 171288017
1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171294267

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine (CID 171273356) is 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine is COc1cccc([C@H](C2CCCC2)N2CCNCC2)c1OC.
What is the InChIKey of 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is ZYFNLNDUFBPICA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-16-9-5-8-15(18(16)22-2)17(14-6-3-4-7-14)20-12-10-19-11-13-20/h5,8-9,14,17,19H,3-4,6-7,10-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine?
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171273356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).