5-(2-ethylpiperidin-1-yl)pentanenitrile

C12H22N2 — CID 6424517

IUPAC5-(2-ethylpiperidin-1-yl)pentanenitrile
SMILESCCC1CCCCN1CCCCC#N
InChIInChI=1S/C12H22N2/c1-2-12-8-4-7-11-14(12)10-6-3-5-9-13/h12H,2-8,10-11H2,1H3
InChIKeyMMOUQCFMIBWYIG-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.94
Rot. Bonds5

About 5-(2-ethylpiperidin-1-yl)pentanenitrile

5-(2-ethylpiperidin-1-yl)pentanenitrile (PubChem CID 6424517) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)pentanenitrile
PubChem CID6424517
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-(2-ethylpiperidin-1-yl)pentanenitrile
SMILESCCC1CCCCN1CCCCC#N
InChIInChI=1S/C12H22N2/c1-2-12-8-4-7-11-14(12)10-6-3-5-9-13/h12H,2-8,10-11H2,1H3
InChIKeyMMOUQCFMIBWYIG-UHFFFAOYSA-N
XLogP2.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.94
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 5-(2-ethylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)pentanenitrile (CID 6424517) is 5-(2-ethylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)pentanenitrile is CCC1CCCCN1CCCCC#N.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)pentanenitrile?
The InChIKey is MMOUQCFMIBWYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-12-8-4-7-11-14(12)10-6-3-5-9-13/h12H,2-8,10-11H2,1H3.
What are the key properties of 5-(2-ethylpiperidin-1-yl)pentanenitrile?
5-(2-ethylpiperidin-1-yl)pentanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 6424517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).