3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile

C17H25N3 — CID 62330903

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
SMILESCNC(C#N)(CN1CCC(C)CC1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14-9-10-20(15(2)11-14)13-17(12-18,19-3)16-7-5-4-6-8-16/h4-8,14-15,19H,9-11,13H2,1-3H3
InChIKeyPIYXDHMFBRFVPC-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.75
Rot. Bonds4

About 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile

3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile (PubChem CID 62330903) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
PubChem CID62330903
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
SMILESCNC(C#N)(CN1CCC(C)CC1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14-9-10-20(15(2)11-14)13-17(12-18,19-3)16-7-5-4-6-8-16/h4-8,14-15,19H,9-11,13H2,1-3H3
InChIKeyPIYXDHMFBRFVPC-UHFFFAOYSA-N
XLogP2.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692553
2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
CID 83045205
2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692306
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62329869
4-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692549
3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
CID 64788960
3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
CID 103537853
3-indazol-1-yl-2-(methylamino)-2-phenylpropanenitrile
CID 62140398
4-(cyclopentylmethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692999
2-(methylamino)-4-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylbutanenitrile
CID 116692652
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913581

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile (CID 62330903) is 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile is CNC(C#N)(CN1CCC(C)CC1C)c1ccccc1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile?
The InChIKey is PIYXDHMFBRFVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-9-10-20(15(2)11-14)13-17(12-18,19-3)16-7-5-4-6-8-16/h4-8,14-15,19H,9-11,13H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile?
3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 62330903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).