2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile

C13H17N3 — CID 117028174

IUPAC2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
SMILESN#CCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C13H17N3/c14-7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-6,9,11H2
InChIKeyLKIQKQQTYBKFIE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.35
Rot. Bonds3

About 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile

2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile (PubChem CID 117028174) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
PubChem CID117028174
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
SMILESN#CCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C13H17N3/c14-7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-6,9,11H2
InChIKeyLKIQKQQTYBKFIE-UHFFFAOYSA-N
XLogP2.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile?
The IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile (CID 117028174) is 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile is N#CCC1CCCCN1Cc1cccnc1.
What is the InChIKey of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile?
The InChIKey is LKIQKQQTYBKFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-6,9,11H2.
What are the key properties of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile?
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile is sourced from PubChem (CID 117028174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).