4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile

C14H19N3 — CID 577408

IUPAC4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile
SMILESCC1CN(C)C(c2ccccc2)CC1(N)C#N
InChIInChI=1S/C14H19N3/c1-11-9-17(2)13(8-14(11,16)10-15)12-6-4-3-5-7-12/h3-7,11,13H,8-9,16H2,1-2H3
InChIKeyJRBKIGBQGUTCCW-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.92
Rot. Bonds1

About 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile

4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile (PubChem CID 577408) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile
PubChem CID577408
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile
SMILESCC1CN(C)C(c2ccccc2)CC1(N)C#N
InChIInChI=1S/C14H19N3/c1-11-9-17(2)13(8-14(11,16)10-15)12-6-4-3-5-7-12/h3-7,11,13H,8-9,16H2,1-2H3
InChIKeyJRBKIGBQGUTCCW-UHFFFAOYSA-N
XLogP1.92
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-phenylcyclopropane-1-carbonitrile
CID 70611404
(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 98341597
(2S,3R,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 100865828
4-amino-1,3-dimethyl-2-phenylpiperidin-1-ium-4-carbonitrile
CID 4979098
1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
CID 174976143
2-amino-3-(2-phenylaziridin-1-yl)but-2-enedinitrile
CID 71318654
1-methyl-2-phenylazetidine
CID 576373
2-[(2R,4S,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]acetonitrile
CID 7071083
2-(4-benzyl-1,2,5-trimethylpiperidin-4-yl)acetonitrile
CID 5105272
2-[(2S,4R,5S)-4-benzyl-1,2,5-trimethylpiperidin-4-yl]acetonitrile
CID 6589491
4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
CID 608965
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile?
The IUPAC name of 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile (CID 577408) is 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile is CC1CN(C)C(c2ccccc2)CC1(N)C#N.
What is the InChIKey of 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile?
The InChIKey is JRBKIGBQGUTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-9-17(2)13(8-14(11,16)10-15)12-6-4-3-5-7-12/h3-7,11,13H,8-9,16H2,1-2H3.
What are the key properties of 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile?
4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5-dimethyl-2-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 577408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).