1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine

C18H28N2O — CID 171277901

IUPAC1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H28N2O/c1-2-21-17-9-5-8-16(14-17)18(15-6-3-4-7-15)20-12-10-19-11-13-20/h5,8-9,14-15,18-19H,2-4,6-7,10-13H2,1H3/t18-/m0/s1
InChIKeyWFORDAIKLCQRCK-SFHVURJKSA-N
MW288.44 g/mol
LogP3.22
Rot. Bonds5

About 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine

1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine (PubChem CID 171277901) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
PubChem CID171277901
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C18H28N2O/c1-2-21-17-9-5-8-16(14-17)18(15-6-3-4-7-15)20-12-10-19-11-13-20/h5,8-9,14-15,18-19H,2-4,6-7,10-13H2,1H3/t18-/m0/s1
InChIKeyWFORDAIKLCQRCK-SFHVURJKSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
CID 112563653

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine (CID 171277901) is 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine is CCOc1cccc([C@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine?
The InChIKey is WFORDAIKLCQRCK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-21-17-9-5-8-16(14-17)18(15-6-3-4-7-15)20-12-10-19-11-13-20/h5,8-9,14-15,18-19H,2-4,6-7,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine?
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171277901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).