1-hex-1-enylpiperidine

C11H21N — CID 54163072

IUPAC1-hex-1-enylpiperidine
SMILESCCCCC=CN1CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6,9H,2-5,7-8,10-11H2,1H3
InChIKeyOPTPNNURCBMGRM-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.18
Rot. Bonds4

About 1-hex-1-enylpiperidine

1-hex-1-enylpiperidine (PubChem CID 54163072) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-hex-1-enylpiperidine.

Molecular Properties

Compound Name1-hex-1-enylpiperidine
PubChem CID54163072
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-hex-1-enylpiperidine
SMILESCCCCC=CN1CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6,9H,2-5,7-8,10-11H2,1H3
InChIKeyOPTPNNURCBMGRM-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.18
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-hex-1-enylpiperidine?
The IUPAC name of 1-hex-1-enylpiperidine (CID 54163072) is 1-hex-1-enylpiperidine.
What is the SMILES notation for 1-hex-1-enylpiperidine?
The canonical SMILES for 1-hex-1-enylpiperidine is CCCCC=CN1CCCCC1.
What is the InChIKey of 1-hex-1-enylpiperidine?
The InChIKey is OPTPNNURCBMGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6,9H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-hex-1-enylpiperidine?
1-hex-1-enylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-enylpiperidine is sourced from PubChem (CID 54163072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).