2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile

C10H18N2O — CID 131609024

IUPAC2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
SMILESCC(C)N1CCCC(O)(CC#N)C1
InChIInChI=1S/C10H18N2O/c1-9(2)12-7-3-4-10(13,8-12)5-6-11/h9,13H,3-5,7-8H2,1-2H3
InChIKeyLDAOEWDUMOQBHS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile

2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile (PubChem CID 131609024) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
PubChem CID131609024
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
SMILESCC(C)N1CCCC(O)(CC#N)C1
InChIInChI=1S/C10H18N2O/c1-9(2)12-7-3-4-10(13,8-12)5-6-11/h9,13H,3-5,7-8H2,1-2H3
InChIKeyLDAOEWDUMOQBHS-UHFFFAOYSA-N
XLogP1.14
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
1-propan-2-yl-4-prop-2-enylazepan-4-ol
CID 79734491
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
4-(3,3-dimethylbutyl)-1-propan-2-ylazepan-4-ol
CID 65154256
2-[3-hydroxy-1-[(1-methylcyclopropyl)methyl]azetidin-3-yl]acetonitrile
CID 130693341
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
3-phenyl-1-propan-2-ylpiperidin-3-ol
CID 12689966
2-(1-propan-2-ylcyclopropyl)acetonitrile
CID 59458677

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile (CID 131609024) is 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile is CC(C)N1CCCC(O)(CC#N)C1.
What is the InChIKey of 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
The InChIKey is LDAOEWDUMOQBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)12-7-3-4-10(13,8-12)5-6-11/h9,13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile?
2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile is sourced from PubChem (CID 131609024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).