4-hexylpiperidine

C11H23N — CID 19069787

IUPAC4-hexylpiperidine
SMILESCCCCCCC1CCNCC1
InChIInChI=1S/C11H23N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h11-12H,2-10H2,1H3
InChIKeyGVMFCPOAYNENIB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds5

About 4-hexylpiperidine

4-hexylpiperidine (PubChem CID 19069787) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-hexylpiperidine.

Molecular Properties

Compound Name4-hexylpiperidine
PubChem CID19069787
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-hexylpiperidine
SMILESCCCCCCC1CCNCC1
InChIInChI=1S/C11H23N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h11-12H,2-10H2,1H3
InChIKeyGVMFCPOAYNENIB-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 4-hexylpiperidine?
The IUPAC name of 4-hexylpiperidine (CID 19069787) is 4-hexylpiperidine.
What is the SMILES notation for 4-hexylpiperidine?
The canonical SMILES for 4-hexylpiperidine is CCCCCCC1CCNCC1.
What is the InChIKey of 4-hexylpiperidine?
The InChIKey is GVMFCPOAYNENIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h11-12H,2-10H2,1H3.
What are the key properties of 4-hexylpiperidine?
4-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 4-hexylpiperidine is sourced from PubChem (CID 19069787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).