4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile

C15H29N3 — CID 103501849

IUPAC4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCC(C(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-8-17-15(12-16)7-11-18-9-5-14(6-10-18)13(2)3/h13-15,17H,4-11H2,1-3H3
InChIKeyXXCFRZIWXXNKEE-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.64
Rot. Bonds7

About 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile

4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile (PubChem CID 103501849) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
PubChem CID103501849
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCC(C(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-8-17-15(12-16)7-11-18-9-5-14(6-10-18)13(2)3/h13-15,17H,4-11H2,1-3H3
InChIKeyXXCFRZIWXXNKEE-UHFFFAOYSA-N
XLogP2.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842
2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 63027571
4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 63028538
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(propylamino)butanenitrile
CID 104968536
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63028152
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
CID 81475532
4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63029660
4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 55144475
4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63029104
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
CID 63236525

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile (CID 103501849) is 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile is CCCNC(C#N)CCN1CCC(C(C)C)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The InChIKey is XXCFRZIWXXNKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-8-17-15(12-16)7-11-18-9-5-14(6-10-18)13(2)3/h13-15,17H,4-11H2,1-3H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile?
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile is sourced from PubChem (CID 103501849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).