4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile

C17H23N3 — CID 171285149

IUPAC4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H23N3/c18-13-14-5-7-16(8-6-14)17(15-3-1-2-4-15)20-11-9-19-10-12-20/h5-8,15,17,19H,1-4,9-12H2/t17-/m1/s1
InChIKeyNJTFWVFOILETRL-QGZVFWFLSA-N
MW269.39 g/mol
LogP2.69
Rot. Bonds3

About 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile (PubChem CID 171285149) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
PubChem CID171285149
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H23N3/c18-13-14-5-7-16(8-6-14)17(15-3-1-2-4-15)20-11-9-19-10-12-20/h5-8,15,17,19H,1-4,9-12H2/t17-/m1/s1
InChIKeyNJTFWVFOILETRL-QGZVFWFLSA-N
XLogP2.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzonitrile;dihydrochloride
CID 171285146
4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]benzonitrile
CID 171272527
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
CID 171298533
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
CID 171281956
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-4-hydroxybenzonitrile
CID 171298531

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile (CID 171285149) is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile is N#Cc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile?
The InChIKey is NJTFWVFOILETRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3/c18-13-14-5-7-16(8-6-14)17(15-3-1-2-4-15)20-11-9-19-10-12-20/h5-8,15,17,19H,1-4,9-12H2/t17-/m1/s1.
What are the key properties of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile?
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile has a molecular weight of 269.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 171285149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).