3-(4-ethylpiperidin-1-yl)butanenitrile

C11H20N2 — CID 61361415

IUPAC3-(4-ethylpiperidin-1-yl)butanenitrile
SMILESCCC1CCN(C(C)CC#N)CC1
InChIInChI=1S/C11H20N2/c1-3-11-5-8-13(9-6-11)10(2)4-7-12/h10-11H,3-6,8-9H2,1-2H3
InChIKeyJYEFEPXGTNCPHM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds3

About 3-(4-ethylpiperidin-1-yl)butanenitrile

3-(4-ethylpiperidin-1-yl)butanenitrile (PubChem CID 61361415) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)butanenitrile
PubChem CID61361415
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(4-ethylpiperidin-1-yl)butanenitrile
SMILESCCC1CCN(C(C)CC#N)CC1
InChIInChI=1S/C11H20N2/c1-3-11-5-8-13(9-6-11)10(2)4-7-12/h10-11H,3-6,8-9H2,1-2H3
InChIKeyJYEFEPXGTNCPHM-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650
3-(4-butan-2-ylpiperazin-1-yl)butanenitrile
CID 62773827
3-pyrrolidin-1-ylbutanenitrile
CID 46318245
3-(4-cyclopropylpiperazin-1-yl)butanenitrile
CID 61441190
3-(azocan-1-yl)butanenitrile
CID 60913131
(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile
CID 99847353
3-(5-ethyl-2-methylpiperidin-1-yl)butanenitrile
CID 130520686
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
3-(6-azaspiro[2.5]octan-6-yl)butanenitrile
CID 126990250
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
N-[2-(4-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 62413434
4-ethylpiperidine-1-carbonitrile
CID 89030426

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)butanenitrile?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)butanenitrile (CID 61361415) is 3-(4-ethylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)butanenitrile is CCC1CCN(C(C)CC#N)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)butanenitrile?
The InChIKey is JYEFEPXGTNCPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-11-5-8-13(9-6-11)10(2)4-7-12/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)butanenitrile?
3-(4-ethylpiperidin-1-yl)butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 61361415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).