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

C17H33N3 — CID 63159395

IUPAC4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
SMILESCCC1(CC)CCN(CCC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C17H33N3/c1-6-17(7-2)9-12-20(13-10-17)11-8-16(5,14-18)19-15(3)4/h15,19H,6-13H2,1-5H3
InChIKeyDWMFGLSOADPTKU-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.56
Rot. Bonds7

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

4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile (PubChem CID 63159395) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
PubChem CID63159395
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
SMILESCCC1(CC)CCN(CCC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C17H33N3/c1-6-17(7-2)9-12-20(13-10-17)11-8-16(5,14-18)19-15(3)4/h15,19H,6-13H2,1-5H3
InChIKeyDWMFGLSOADPTKU-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Dimethylamino)piperidine-4-carbonitrile
CID 28279232
4-Ethyl-4-{[(1-propyl-4-piperidinyl)amino]methyl}hexanenitrile
CID 39782625
3,3-Diethylpiperidine-2-carbonitrile
CID 10797154
4-Amino-1-propylpiperidine-4-carbonitrile
CID 16794071
4-Piperidinecarbonitrile,4-amino-1-(1-methylethyl)-
CID 16795008
4-(Tert-butylamino)-1-methylpiperidine-4-carbonitrile
CID 18337014
1-Ethyl-4-(ethylamino)piperidine-4-carbonitrile
CID 20622561
4-(Tert-butylamino)-1,1-dimethylpiperidin-1-ium-4-carbonitrile
CID 20760296
2-(Tert-butylamino)-4-piperidin-1-ylbutanenitrile
CID 20825450
2-(Tert-butylamino)-5-piperidin-1-ylpentanenitrile
CID 20825469
4-Amino-1-t-butyl4-cyano-piperidine
CID 22063202
1-Methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 22893169

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile (CID 63159395) is 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile is CCC1(CC)CCN(CCC(C)(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile?
The InChIKey is DWMFGLSOADPTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-17(7-2)9-12-20(13-10-17)11-8-16(5,14-18)19-15(3)4/h15,19H,6-13H2,1-5H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile?
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.56, 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-methyl-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63159395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).