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

C17H25N3 — CID 62330903

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
SMILESCC1CCN(C(C1)C)CC(C#N)(C2=CC=CC=C2)NC
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
MW271.40 g/mol
LogP2.90
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 271.40 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 Weight271.40 g/mol
Exact Mass271.20
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
SMILESCC1CCN(C(C1)C)CC(C#N)(C2=CC=CC=C2)NC
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
XLogP2.90
TPSA39.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity352

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 CC1CCN(C(C1)C)CC(C#N)(C2=CC=CC=C2)NC.
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 271.40 g/mol, XLogP of 2.90, 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).