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

C14H20N4 — CID 62894272

IUPAC3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCNCC1CCCN(Cc2cccnc2C#N)C1
InChIInChI=1S/C14H20N4/c1-16-9-12-4-3-7-18(10-12)11-13-5-2-6-17-14(13)8-15/h2,5-6,12,16H,3-4,7,9-11H2,1H3
InChIKeyOXFQIIRPCRNCJO-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.38
Rot. Bonds4

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

3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 62894272) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID62894272
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCNCC1CCCN(Cc2cccnc2C#N)C1
InChIInChI=1S/C14H20N4/c1-16-9-12-4-3-7-18(10-12)11-13-5-2-6-17-14(13)8-15/h2,5-6,12,16H,3-4,7,9-11H2,1H3
InChIKeyOXFQIIRPCRNCJO-UHFFFAOYSA-N
XLogP1.38
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419
methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 62919235
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63169618
4-fluoro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 61205906
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
1-[1-[(3-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 82740318
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile (CID 62894272) is 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile is CNCC1CCCN(Cc2cccnc2C#N)C1.
What is the InChIKey of 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is OXFQIIRPCRNCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-16-9-12-4-3-7-18(10-12)11-13-5-2-6-17-14(13)8-15/h2,5-6,12,16H,3-4,7,9-11H2,1H3.
What are the key properties of 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).