2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile

C15H21N3 — CID 63234456

IUPAC2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
SMILESCN1CCC(CN(C)c2ccccc2C#N)CC1
InChIInChI=1S/C15H21N3/c1-17-9-7-13(8-10-17)12-18(2)15-6-4-3-5-14(15)11-16/h3-6,13H,7-10,12H2,1-2H3
InChIKeyNOSHMLJUYUJZJN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.34
Rot. Bonds3

About 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile (PubChem CID 63234456) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
PubChem CID63234456
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
SMILESCN1CCC(CN(C)c2ccccc2C#N)CC1
InChIInChI=1S/C15H21N3/c1-17-9-7-13(8-10-17)12-18(2)15-6-4-3-5-14(15)11-16/h3-6,13H,7-10,12H2,1-2H3
InChIKeyNOSHMLJUYUJZJN-UHFFFAOYSA-N
XLogP2.34
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
4-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 55173458
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
5-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63273515
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
2-[2-cyclohexylethyl(methyl)amino]benzonitrile
CID 114191196
5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-nitrobenzonitrile
CID 115501202
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
2-fluoro-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzonitrile
CID 103758489
(1S)-1-[2-fluoro-6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]ethanol
CID 78941206
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine
CID 81214603

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile?
The IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile (CID 63234456) is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile.
What is the SMILES notation for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile?
The canonical SMILES for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile is CN1CCC(CN(C)c2ccccc2C#N)CC1.
What is the InChIKey of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile?
The InChIKey is NOSHMLJUYUJZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-9-7-13(8-10-17)12-18(2)15-6-4-3-5-14(15)11-16/h3-6,13H,7-10,12H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile?
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile is sourced from PubChem (CID 63234456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).