3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile

C14H16N2O2 — CID 62878930

IUPAC3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile
SMILESN#CC(C(=O)N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-10-13(11-4-2-1-3-5-11)14(18)16-8-6-12(17)7-9-16/h1-5,12-13,17H,6-9H2
InChIKeyNULKWPKAIBVSKD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.28
Rot. Bonds2

About 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile

3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile (PubChem CID 62878930) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile
PubChem CID62878930
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile
SMILESN#CC(C(=O)N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-10-13(11-4-2-1-3-5-11)14(18)16-8-6-12(17)7-9-16/h1-5,12-13,17H,6-9H2
InChIKeyNULKWPKAIBVSKD-UHFFFAOYSA-N
XLogP1.28
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62877694
3-(4-acetyl-1,4-diazepan-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62878066
3-(1,4-oxazepan-4-yl)-3-oxo-2-phenylpropanenitrile
CID 55154093
3-oxo-3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-2-phenylpropanenitrile
CID 79096457
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-oxo-2-phenylpropanenitrile
CID 62877028
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile (CID 62878930) is 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile is N#CC(C(=O)N1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile?
The InChIKey is NULKWPKAIBVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-13(11-4-2-1-3-5-11)14(18)16-8-6-12(17)7-9-16/h1-5,12-13,17H,6-9H2.
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile?
3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile has a molecular weight of 244.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile is sourced from PubChem (CID 62878930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).