3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile

C17H23N3O — CID 171298533

IUPAC3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H23N3O/c18-12-13-5-6-16(21)15(11-13)17(14-3-1-2-4-14)20-9-7-19-8-10-20/h5-6,11,14,17,19,21H,1-4,7-10H2/t17-/m0/s1
InChIKeyKGSLDKYAKQRDEX-KRWDZBQOSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds3

About 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile

3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile (PubChem CID 171298533) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
PubChem CID171298533
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H23N3O/c18-12-13-5-6-16(21)15(11-13)17(14-3-1-2-4-14)20-9-7-19-8-10-20/h5-6,11,14,17,19,21H,1-4,7-10H2/t17-/m0/s1
InChIKeyKGSLDKYAKQRDEX-KRWDZBQOSA-N
XLogP2.40
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
CID 171298531
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-fluoro-4-hydroxybenzonitrile
CID 171298812
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284859
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
CID 171285149
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,2,3-triol
CID 171286806
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-nitrophenol
CID 171284857
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxy-5-nitrobenzonitrile
CID 171299532

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile?
The IUPAC name of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile (CID 171298533) is 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile.
What is the SMILES notation for 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile?
The canonical SMILES for 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile is N#Cc1ccc(O)c([C@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile?
The InChIKey is KGSLDKYAKQRDEX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O/c18-12-13-5-6-16(21)15(11-13)17(14-3-1-2-4-14)20-9-7-19-8-10-20/h5-6,11,14,17,19,21H,1-4,7-10H2/t17-/m0/s1.
What are the key properties of 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile?
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile is sourced from PubChem (CID 171298533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).