4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile

C16H31N3 — CID 63159208

IUPAC4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCCC1(CC)CCN(CCC(C#N)NC(C)C)CC1
InChIInChI=1S/C16H31N3/c1-5-16(6-2)8-11-19(12-9-16)10-7-15(13-17)18-14(3)4/h14-15,18H,5-12H2,1-4H3
InChIKeyHEJAJLRNZLJCDG-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds7

About 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile

4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63159208) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID63159208
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCCC1(CC)CCN(CCC(C#N)NC(C)C)CC1
InChIInChI=1S/C16H31N3/c1-5-16(6-2)8-11-19(12-9-16)10-7-15(13-17)18-14(3)4/h14-15,18H,5-12H2,1-4H3
InChIKeyHEJAJLRNZLJCDG-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 63159208) is 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile is CCC1(CC)CCN(CCC(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is HEJAJLRNZLJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-16(6-2)8-11-19(12-9-16)10-7-15(13-17)18-14(3)4/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile?
4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63159208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).