1-hexyl-2-methylpiperidine

C12H25N — CID 6428888

IUPAC1-hexyl-2-methylpiperidine
SMILESCCCCCCN1CCCCC1C
InChIInChI=1S/C12H25N/c1-3-4-5-7-10-13-11-8-6-9-12(13)2/h12H,3-11H2,1-2H3
InChIKeyLBDNSUXZKXGGLN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.44
Rot. Bonds5

About 1-hexyl-2-methylpiperidine

1-hexyl-2-methylpiperidine (PubChem CID 6428888) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-hexyl-2-methylpiperidine.

Molecular Properties

Compound Name1-hexyl-2-methylpiperidine
PubChem CID6428888
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-hexyl-2-methylpiperidine
SMILESCCCCCCN1CCCCC1C
InChIInChI=1S/C12H25N/c1-3-4-5-7-10-13-11-8-6-9-12(13)2/h12H,3-11H2,1-2H3
InChIKeyLBDNSUXZKXGGLN-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methylpiperidine?
The IUPAC name of 1-hexyl-2-methylpiperidine (CID 6428888) is 1-hexyl-2-methylpiperidine.
What is the SMILES notation for 1-hexyl-2-methylpiperidine?
The canonical SMILES for 1-hexyl-2-methylpiperidine is CCCCCCN1CCCCC1C.
What is the InChIKey of 1-hexyl-2-methylpiperidine?
The InChIKey is LBDNSUXZKXGGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-7-10-13-11-8-6-9-12(13)2/h12H,3-11H2,1-2H3.
What are the key properties of 1-hexyl-2-methylpiperidine?
1-hexyl-2-methylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methylpiperidine is sourced from PubChem (CID 6428888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).