4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile

C14H20N4 — CID 115305378

IUPAC4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCNC1(C)CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H20N4/c1-14(16-2)4-7-18(8-5-14)11-12-3-6-17-13(9-12)10-15/h3,6,9,16H,4-5,7-8,11H2,1-2H3
InChIKeyGEJXFKKCOOXYNB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.53
Rot. Bonds3

About 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile

4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 115305378) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID115305378
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCNC1(C)CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H20N4/c1-14(16-2)4-7-18(8-5-14)11-12-3-6-17-13(9-12)10-15/h3,6,9,16H,4-5,7-8,11H2,1-2H3
InChIKeyGEJXFKKCOOXYNB-UHFFFAOYSA-N
XLogP1.53
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
CID 63886161
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 63885773
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
CID 169137895
N,4-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 115305313
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile (CID 115305378) is 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile is CNC1(C)CCN(Cc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is GEJXFKKCOOXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(16-2)4-7-18(8-5-14)11-12-3-6-17-13(9-12)10-15/h3,6,9,16H,4-5,7-8,11H2,1-2H3.
What are the key properties of 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile?
4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115305378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).