4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile

C16H20N2O2 — CID 107228070

IUPAC4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
SMILESN#Cc1ccc(C(=O)CN2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H20N2O2/c17-10-13-3-5-15(6-4-13)16(20)12-18-8-1-2-14(11-18)7-9-19/h3-6,14,19H,1-2,7-9,11-12H2
InChIKeyXUAGYJMHIGWIIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds5

About 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile

4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile (PubChem CID 107228070) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
PubChem CID107228070
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
SMILESN#Cc1ccc(C(=O)CN2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H20N2O2/c17-10-13-3-5-15(6-4-13)16(20)12-18-8-1-2-14(11-18)7-9-19/h3-6,14,19H,1-2,7-9,11-12H2
InChIKeyXUAGYJMHIGWIIY-UHFFFAOYSA-N
XLogP1.84
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107228038
4-[2-(4-methylazepan-1-yl)acetyl]benzonitrile
CID 63622996
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
4-[2-[4-(cyclopropylmethyl)piperazin-1-yl]acetyl]benzonitrile
CID 61445688
4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
CID 62025688
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228840
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 62355947
4-[2-(1,4-oxazepan-4-yl)acetyl]benzonitrile
CID 62973437
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228110
4-[2-[4-(2-methylpropyl)piperidin-1-yl]acetyl]benzonitrile
CID 59000971

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile?
The IUPAC name of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile (CID 107228070) is 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile is N#Cc1ccc(C(=O)CN2CCCC(CCO)C2)cc1.
What is the InChIKey of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile?
The InChIKey is XUAGYJMHIGWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-10-13-3-5-15(6-4-13)16(20)12-18-8-1-2-14(11-18)7-9-19/h3-6,14,19H,1-2,7-9,11-12H2.
What are the key properties of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile?
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile is sourced from PubChem (CID 107228070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).