3-hexylpiperidine

C11H23N — CID 18995310

IUPAC3-hexylpiperidine
SMILESCCCCCCC1CCCNC1
InChIInChI=1S/C11H23N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h11-12H,2-10H2,1H3
InChIKeyNYTHXDHDPRNOFG-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds5

About 3-hexylpiperidine

3-hexylpiperidine (PubChem CID 18995310) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-hexylpiperidine.

Molecular Properties

Compound Name3-hexylpiperidine
PubChem CID18995310
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-hexylpiperidine
SMILESCCCCCCC1CCCNC1
InChIInChI=1S/C11H23N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h11-12H,2-10H2,1H3
InChIKeyNYTHXDHDPRNOFG-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexylpiperidine?
The IUPAC name of 3-hexylpiperidine (CID 18995310) is 3-hexylpiperidine.
What is the SMILES notation for 3-hexylpiperidine?
The canonical SMILES for 3-hexylpiperidine is CCCCCCC1CCCNC1.
What is the InChIKey of 3-hexylpiperidine?
The InChIKey is NYTHXDHDPRNOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h11-12H,2-10H2,1H3.
What are the key properties of 3-hexylpiperidine?
3-hexylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylpiperidine is sourced from PubChem (CID 18995310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).