3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile

C15H21N3 — CID 114593285

IUPAC3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1CC(C)C(C)N(Cc2cccnc2C#N)C1
InChIInChI=1S/C15H21N3/c1-11-7-12(2)13(3)18(9-11)10-14-5-4-6-17-15(14)8-16/h4-6,11-13H,7,9-10H2,1-3H3
InChIKeyWURRXEHTXYSALH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.82
Rot. Bonds2

About 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile

3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 114593285) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID114593285
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1CC(C)C(C)N(Cc2cccnc2C#N)C1
InChIInChI=1S/C15H21N3/c1-11-7-12(2)13(3)18(9-11)10-14-5-4-6-17-15(14)8-16/h4-6,11-13H,7,9-10H2,1-3H3
InChIKeyWURRXEHTXYSALH-UHFFFAOYSA-N
XLogP2.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzonitrile
CID 103275030
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 82755125
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
1-[(2-cyano-3-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351750
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
CID 63513660
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62920268
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]benzonitrile
CID 115644348
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 62893590
5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114593803
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
3-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 113421128

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile (CID 114593285) is 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile is CC1CC(C)C(C)N(Cc2cccnc2C#N)C1.
What is the InChIKey of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is WURRXEHTXYSALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-7-12(2)13(3)18(9-11)10-14-5-4-6-17-15(14)8-16/h4-6,11-13H,7,9-10H2,1-3H3.
What are the key properties of 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 114593285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).