2-hept-6-enylpiperidine

C12H23N — CID 107010178

IUPAC2-hept-6-enylpiperidine
SMILESC=CCCCCCC1CCCCN1
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2,12-13H,1,3-11H2
InChIKeyURPUAAOTZVHGEE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds6

About 2-hept-6-enylpiperidine

2-hept-6-enylpiperidine (PubChem CID 107010178) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-hept-6-enylpiperidine.

Molecular Properties

Compound Name2-hept-6-enylpiperidine
PubChem CID107010178
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-hept-6-enylpiperidine
SMILESC=CCCCCCC1CCCCN1
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2,12-13H,1,3-11H2
InChIKeyURPUAAOTZVHGEE-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
N-methyl-N-(piperidin-2-ylmethyl)hept-6-en-1-amine
CID 107008102
lithium 2-octylazepane
CID 87399886
lithium 2-hexylazepane
CID 87399640
2-tetradecylpiperidine
CID 151771246
2-heptadecylazepane
CID 4009189
N-methyl-5-piperidin-2-ylpentan-1-amine
CID 166838615
2,6-bis(pent-4-enyl)piperidine
CID 592267
(2S,6R)-2,6-bis(pent-4-enyl)piperidine
CID 14680292
N,N-bis(prop-2-enyl)-3-pyrrolidin-2-ylpropan-1-amine
CID 82183609
7-pyrrolidin-2-ylheptan-1-ol
CID 10330055

Frequently Asked Questions

What is the IUPAC name of 2-hept-6-enylpiperidine?
The IUPAC name of 2-hept-6-enylpiperidine (CID 107010178) is 2-hept-6-enylpiperidine.
What is the SMILES notation for 2-hept-6-enylpiperidine?
The canonical SMILES for 2-hept-6-enylpiperidine is C=CCCCCCC1CCCCN1.
What is the InChIKey of 2-hept-6-enylpiperidine?
The InChIKey is URPUAAOTZVHGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2,12-13H,1,3-11H2.
What are the key properties of 2-hept-6-enylpiperidine?
2-hept-6-enylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-enylpiperidine is sourced from PubChem (CID 107010178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).