4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile

C16H28N2O — CID 114340274

IUPAC4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1CCCCC1C1CCCC1O
InChIInChI=1S/C16H28N2O/c1-16(2,12-17)9-11-18-10-4-3-7-14(18)13-6-5-8-15(13)19/h13-15,19H,3-11H2,1-2H3
InChIKeyWGFSBMPDKGMMPP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.94
Rot. Bonds4

About 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile

4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 114340274) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID114340274
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1CCCCC1C1CCCC1O
InChIInChI=1S/C16H28N2O/c1-16(2,12-17)9-11-18-10-4-3-7-14(18)13-6-5-8-15(13)19/h13-15,19H,3-11H2,1-2H3
InChIKeyWGFSBMPDKGMMPP-UHFFFAOYSA-N
XLogP2.94
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
CID 114339805
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
2,2-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanenitrile
CID 79553731
2-[1-(2-hydroxy-2-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114497735
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339767
4-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 129491820
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114340046
N-tert-butyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340286

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile (CID 114340274) is 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN1CCCCC1C1CCCC1O.
What is the InChIKey of 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is WGFSBMPDKGMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,12-17)9-11-18-10-4-3-7-14(18)13-6-5-8-15(13)19/h13-15,19H,3-11H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile?
4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 264.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 114340274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).