2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile

C16H29N3 — CID 63913581

IUPAC2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CCC(C)CC1C)C1CC1
InChIInChI=1S/C16H29N3/c1-4-8-18-16(11-17,15-5-6-15)12-19-9-7-13(2)10-14(19)3/h13-15,18H,4-10,12H2,1-3H3
InChIKeyLQLZKMMPDJRBHR-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds6

About 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile (PubChem CID 63913581) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
PubChem CID63913581
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CCC(C)CC1C)C1CC1
InChIInChI=1S/C16H29N3/c1-4-8-18-16(11-17,15-5-6-15)12-19-9-7-13(2)10-14(19)3/h13-15,18H,4-10,12H2,1-3H3
InChIKeyLQLZKMMPDJRBHR-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile (CID 63913581) is 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)(CN1CCC(C)CC1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The InChIKey is LQLZKMMPDJRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-8-18-16(11-17,15-5-6-15)12-19-9-7-13(2)10-14(19)3/h13-15,18H,4-10,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63913581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).