3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile

C15H21N3O — CID 62919235

IUPAC3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCCOC1CCCN(Cc2cccnc2C#N)C1
InChIInChI=1S/C15H21N3O/c1-2-9-19-14-6-4-8-18(12-14)11-13-5-3-7-17-15(13)10-16/h3,5,7,14H,2,4,6,8-9,11-12H2,1H3
InChIKeyAMPQKUYTRMCIRG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.34
Rot. Bonds5

About 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile

3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 62919235) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID62919235
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCCOC1CCCN(Cc2cccnc2C#N)C1
InChIInChI=1S/C15H21N3O/c1-2-9-19-14-6-4-8-18(12-14)11-13-5-3-7-17-15(13)10-16/h3,5,7,14H,2,4,6,8-9,11-12H2,1H3
InChIKeyAMPQKUYTRMCIRG-UHFFFAOYSA-N
XLogP2.34
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63169618
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904911
3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile (CID 62919235) is 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile is CCCOC1CCCN(Cc2cccnc2C#N)C1.
What is the InChIKey of 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is AMPQKUYTRMCIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-9-19-14-6-4-8-18(12-14)11-13-5-3-7-17-15(13)10-16/h3,5,7,14H,2,4,6,8-9,11-12H2,1H3.
What are the key properties of 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62919235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).