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

C13H24N2 — CID 83056574

IUPAC5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCCC#N
InChIInChI=1S/C13H24N2/c1-2-8-13-9-4-7-12-15(13)11-6-3-5-10-14/h13H,2-9,11-12H2,1H3
InChIKeyQAUFOFCUALKJIF-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.33
Rot. Bonds6

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

5-(2-propylpiperidin-1-yl)pentanenitrile (PubChem CID 83056574) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-(2-propylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(2-propylpiperidin-1-yl)pentanenitrile
PubChem CID83056574
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCCC#N
InChIInChI=1S/C13H24N2/c1-2-8-13-9-4-7-12-15(13)11-6-3-5-10-14/h13H,2-9,11-12H2,1H3
InChIKeyQAUFOFCUALKJIF-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.33
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-pentyl-2-propylpiperidine
CID 54429991
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
1-but-3-ynyl-2-propylpiperidine
CID 83061576
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
N-propan-2-yl-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061777
4-[2-(chloromethyl)piperidin-1-yl]butanenitrile
CID 12577372
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 5-(2-propylpiperidin-1-yl)pentanenitrile (CID 83056574) is 5-(2-propylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(2-propylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(2-propylpiperidin-1-yl)pentanenitrile is CCCC1CCCCN1CCCCC#N.
What is the InChIKey of 5-(2-propylpiperidin-1-yl)pentanenitrile?
The InChIKey is QAUFOFCUALKJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-8-13-9-4-7-12-15(13)11-6-3-5-10-14/h13H,2-9,11-12H2,1H3.
What are the key properties of 5-(2-propylpiperidin-1-yl)pentanenitrile?
5-(2-propylpiperidin-1-yl)pentanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 83056574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).