1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile

C15H26N2O — CID 79130506

IUPAC1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C2(O)CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H26N2O/c1-12(2)17-8-6-15(18,7-9-17)14(11-16)5-4-13(3)10-14/h12-13,18H,4-10H2,1-3H3
InChIKeySVNFOMACFJCEOX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.55
Rot. Bonds2

About 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile

1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile (PubChem CID 79130506) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile
PubChem CID79130506
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C2(O)CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H26N2O/c1-12(2)17-8-6-15(18,7-9-17)14(11-16)5-4-13(3)10-14/h12-13,18H,4-10H2,1-3H3
InChIKeySVNFOMACFJCEOX-UHFFFAOYSA-N
XLogP2.55
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957
1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
CID 79131268
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carbonitrile
CID 79131398
1-(1-ethyl-4-hydroxyazepan-4-yl)-3-methylcyclohexane-1-carbonitrile
CID 79131642
1-(3-hydroxy-1-methylpyrrolidin-3-yl)-4-methylcyclohexane-1-carbonitrile
CID 79131258
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79133079
1-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)-3-methylcyclopentane-1-carbonitrile
CID 82855550
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carbonitrile
CID 79128740
1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 81468362
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
CID 130513311
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 177204312

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile (CID 79130506) is 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(C2(O)CCN(C(C)C)CC2)C1.
What is the InChIKey of 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile?
The InChIKey is SVNFOMACFJCEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)17-8-6-15(18,7-9-17)14(11-16)5-4-13(3)10-14/h12-13,18H,4-10H2,1-3H3.
What are the key properties of 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile?
1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79130506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).