1-pentyl-2-propylpiperidine

C13H27N — CID 54429991

IUPAC1-pentyl-2-propylpiperidine
SMILESCCCCCN1CCCCC1CCC
InChIInChI=1S/C13H27N/c1-3-5-7-11-14-12-8-6-10-13(14)9-4-2/h13H,3-12H2,1-2H3
InChIKeyWGUNDPLHWURZPA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds6

About 1-pentyl-2-propylpiperidine

1-pentyl-2-propylpiperidine (PubChem CID 54429991) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-pentyl-2-propylpiperidine.

Molecular Properties

Compound Name1-pentyl-2-propylpiperidine
PubChem CID54429991
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-pentyl-2-propylpiperidine
SMILESCCCCCN1CCCCC1CCC
InChIInChI=1S/C13H27N/c1-3-5-7-11-14-12-8-6-10-13(14)9-4-2/h13H,3-12H2,1-2H3
InChIKeyWGUNDPLHWURZPA-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
1-dodecyl-2-ethylpiperidine
CID 171569899
1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid
CID 175874740
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-propylpiperidine?
The IUPAC name of 1-pentyl-2-propylpiperidine (CID 54429991) is 1-pentyl-2-propylpiperidine.
What is the SMILES notation for 1-pentyl-2-propylpiperidine?
The canonical SMILES for 1-pentyl-2-propylpiperidine is CCCCCN1CCCCC1CCC.
What is the InChIKey of 1-pentyl-2-propylpiperidine?
The InChIKey is WGUNDPLHWURZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-7-11-14-12-8-6-10-13(14)9-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 1-pentyl-2-propylpiperidine?
1-pentyl-2-propylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-propylpiperidine is sourced from PubChem (CID 54429991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).