4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile

C14H19N3 — CID 114484783

IUPAC4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1CN1CCC(N)CC1
InChIInChI=1S/C14H19N3/c1-11-8-12(9-15)2-3-13(11)10-17-6-4-14(16)5-7-17/h2-3,8,14H,4-7,10,16H2,1H3
InChIKeyOUCWFXSCIQAMJR-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.79
Rot. Bonds2

About 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile

4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile (PubChem CID 114484783) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile
PubChem CID114484783
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1CN1CCC(N)CC1
InChIInChI=1S/C14H19N3/c1-11-8-12(9-15)2-3-13(11)10-17-6-4-14(16)5-7-17/h2-3,8,14H,4-7,10,16H2,1H3
InChIKeyOUCWFXSCIQAMJR-UHFFFAOYSA-N
XLogP1.79
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzonitrile
CID 114481234
3-methyl-4-(piperidin-1-ylmethyl)benzonitrile
CID 114480957
3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]benzonitrile
CID 114484948
4-[(4-tert-butylazepan-1-yl)methyl]-3-methylbenzonitrile
CID 114481222
4-[(3-hydroxyazetidin-1-yl)methyl]-3-methylbenzonitrile
CID 114485271
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3-methylbenzonitrile
CID 114481164
3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzonitrile
CID 114481273
3-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 114481019
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
3-methyl-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]benzonitrile
CID 102743866
ethyl 1-[(4-cyano-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 114480965
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-3-methylbenzonitrile
CID 103353274

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile?
The IUPAC name of 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile (CID 114484783) is 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1CN1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile?
The InChIKey is OUCWFXSCIQAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-8-12(9-15)2-3-13(11)10-17-6-4-14(16)5-7-17/h2-3,8,14H,4-7,10,16H2,1H3.
What are the key properties of 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile?
4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile is sourced from PubChem (CID 114484783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).