4-(2-ethylpiperidin-1-yl)butanenitrile

C11H20N2 — CID 6424204

IUPAC4-(2-ethylpiperidin-1-yl)butanenitrile
SMILESCCC1CCCCN1CCCC#N
InChIInChI=1S/C11H20N2/c1-2-11-7-3-5-9-13(11)10-6-4-8-12/h11H,2-7,9-10H2,1H3
InChIKeyCKLOZHSCENFKCO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-ethylpiperidin-1-yl)butanenitrile

4-(2-ethylpiperidin-1-yl)butanenitrile (PubChem CID 6424204) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)butanenitrile
PubChem CID6424204
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-(2-ethylpiperidin-1-yl)butanenitrile
SMILESCCC1CCCCN1CCCC#N
InChIInChI=1S/C11H20N2/c1-2-11-7-3-5-9-13(11)10-6-4-8-12/h11H,2-7,9-10H2,1H3
InChIKeyCKLOZHSCENFKCO-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Piperidinebutyronitrile
CID 78403
1,2,6-Trimethylpiperidine
CID 107328
Piperidine-1-valeronitrile
CID 78472
1-(2-Cyanoethyl)-2-pipecoline
CID 574530
(2S,6S)-1,2,6-trimethylpiperidine
CID 642614
(2R,6S)-1,2,6-trimethylpiperidine
CID 642615
2-(2-Methylpiperidin-1-yl)acetonitrile
CID 22688889
2-Ethyl-1-methylpiperidine
CID 287920
(2,6-Dimethylpiperidin-1-yl)acetonitrile
CID 12765385
Piperidine, 1-hexyl-2,6-dimethyl
CID 6428887
Piperidine, 2,6-dimethyl-1-propyl
CID 6428892
2-(Piperidin-1-yl)propanenitrile
CID 12957465

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)butanenitrile?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)butanenitrile (CID 6424204) is 4-(2-ethylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)butanenitrile is CCC1CCCCN1CCCC#N.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)butanenitrile?
The InChIKey is CKLOZHSCENFKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-11-7-3-5-9-13(11)10-6-4-8-12/h11H,2-7,9-10H2,1H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)butanenitrile?
4-(2-ethylpiperidin-1-yl)butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 6424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).