2-hexylidenepiperidine

C11H21N — CID 152673608

IUPAC2-hexylidenepiperidine
SMILESCCCCCC=C1CCCCN1
InChIInChI=1S/C11H21N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h8,12H,2-7,9-10H2,1H3
InChIKeyZMBLQRWXCGEDJD-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.22
Rot. Bonds4

About 2-hexylidenepiperidine

2-hexylidenepiperidine (PubChem CID 152673608) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-hexylidenepiperidine.

Molecular Properties

Compound Name2-hexylidenepiperidine
PubChem CID152673608
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-hexylidenepiperidine
SMILESCCCCCC=C1CCCCN1
InChIInChI=1S/C11H21N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h8,12H,2-7,9-10H2,1H3
InChIKeyZMBLQRWXCGEDJD-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.22
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 2-hexylidenepiperidine?
The IUPAC name of 2-hexylidenepiperidine (CID 152673608) is 2-hexylidenepiperidine.
What is the SMILES notation for 2-hexylidenepiperidine?
The canonical SMILES for 2-hexylidenepiperidine is CCCCCC=C1CCCCN1.
What is the InChIKey of 2-hexylidenepiperidine?
The InChIKey is ZMBLQRWXCGEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h8,12H,2-7,9-10H2,1H3.
What are the key properties of 2-hexylidenepiperidine?
2-hexylidenepiperidine has a molecular weight of 167.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylidenepiperidine is sourced from PubChem (CID 152673608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).