4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile

C13H17N3O — CID 63880785

IUPAC4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(COCC2CCCNC2)ccn1
InChIInChI=1S/C13H17N3O/c14-7-13-6-11(3-5-16-13)9-17-10-12-2-1-4-15-8-12/h3,5-6,12,15H,1-2,4,8-10H2
InChIKeyMABLQBXHKAZBHX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds4

About 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile

4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile (PubChem CID 63880785) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
PubChem CID63880785
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(COCC2CCCNC2)ccn1
InChIInChI=1S/C13H17N3O/c14-7-13-6-11(3-5-16-13)9-17-10-12-2-1-4-15-8-12/h3,5-6,12,15H,1-2,4,8-10H2
InChIKeyMABLQBXHKAZBHX-UHFFFAOYSA-N
XLogP1.47
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546
6-(piperidin-3-ylmethoxymethyl)quinoline
CID 55060712
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611
4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile
CID 63881381
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
CID 102633875
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
CID 114484471
2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
CID 71636545

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile (CID 63880785) is 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile is N#Cc1cc(COCC2CCCNC2)ccn1.
What is the InChIKey of 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile?
The InChIKey is MABLQBXHKAZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-13-6-11(3-5-16-13)9-17-10-12-2-1-4-15-8-12/h3,5-6,12,15H,1-2,4,8-10H2.
What are the key properties of 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile?
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63880785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).