4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile

C14H27N3 — CID 63028152

IUPAC4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCCC(C)C1C
InChIInChI=1S/C14H27N3/c1-4-8-16-14(11-15)7-10-17-9-5-6-12(2)13(17)3/h12-14,16H,4-10H2,1-3H3
InChIKeyRNTVDTQKVARPBM-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds6

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

4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile (PubChem CID 63028152) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
PubChem CID63028152
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCCC(C)C1C
InChIInChI=1S/C14H27N3/c1-4-8-16-14(11-15)7-10-17-9-5-6-12(2)13(17)3/h12-14,16H,4-10H2,1-3H3
InChIKeyRNTVDTQKVARPBM-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile (CID 63028152) is 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile is CCCNC(C#N)CCN1CCCC(C)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The InChIKey is RNTVDTQKVARPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-8-16-14(11-15)7-10-17-9-5-6-12(2)13(17)3/h12-14,16H,4-10H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile is sourced from PubChem (CID 63028152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).