2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile

C17H25N3 — CID 116692329

IUPAC2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
SMILESCCNC(C#N)(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-2-19-17(15-18,16-9-5-3-6-10-16)11-14-20-12-7-4-8-13-20/h3,5-6,9-10,19H,2,4,7-8,11-14H2,1H3
InChIKeySZBARFYPNQICNC-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.89
Rot. Bonds6

About 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile

2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile (PubChem CID 116692329) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
PubChem CID116692329
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
SMILESCCNC(C#N)(CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-2-19-17(15-18,16-9-5-3-6-10-16)11-14-20-12-7-4-8-13-20/h3,5-6,9-10,19H,2,4,7-8,11-14H2,1H3
InChIKeySZBARFYPNQICNC-UHFFFAOYSA-N
XLogP2.89
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692504
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile
CID 103537792
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
2-(ethylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanenitrile
CID 116693325
2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692306

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile?
The IUPAC name of 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile (CID 116692329) is 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile is CCNC(C#N)(CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile?
The InChIKey is SZBARFYPNQICNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-19-17(15-18,16-9-5-3-6-10-16)11-14-20-12-7-4-8-13-20/h3,5-6,9-10,19H,2,4,7-8,11-14H2,1H3.
What are the key properties of 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile?
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile has a molecular weight of 271.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 116692329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).