(2S,6R)-2,6-bis(pent-4-enyl)piperidine

C15H27N — CID 14680292

IUPAC(2S,6R)-2,6-bis(pent-4-enyl)piperidine
SMILESC=CCCC[C@@H]1CCC[C@H](CCCC=C)N1
InChIInChI=1S/C15H27N/c1-3-5-7-10-14-12-9-13-15(16-14)11-8-6-4-2/h3-4,14-16H,1-2,5-13H2/t14-,15+
InChIKeyAFBIHOXBWUXQRS-GASCZTMLSA-N
MW221.39 g/mol
LogP4.21
Rot. Bonds8

About (2S,6R)-2,6-bis(pent-4-enyl)piperidine

(2S,6R)-2,6-bis(pent-4-enyl)piperidine (PubChem CID 14680292) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2S,6R)-2,6-bis(pent-4-enyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-2,6-bis(pent-4-enyl)piperidine
PubChem CID14680292
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2S,6R)-2,6-bis(pent-4-enyl)piperidine
SMILESC=CCCC[C@@H]1CCC[C@H](CCCC=C)N1
InChIInChI=1S/C15H27N/c1-3-5-7-10-14-12-9-13-15(16-14)11-8-6-4-2/h3-4,14-16H,1-2,5-13H2/t14-,15+
InChIKeyAFBIHOXBWUXQRS-GASCZTMLSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.21
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

2,6-bis(pent-4-enyl)piperidine
CID 592267
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
(2R,6R)-2,6-bis(prop-2-enyl)piperidine
CID 12967356
methane;(7R)-7-pent-4-enylazepan-2-one;(7S)-7-pent-4-enylazepan-2-one
CID 158173582
2-hept-6-enylpiperidine
CID 107010178
2-pent-4-enyl-1-azaspiro[5.5]undecan-10-ol
CID 606637
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2-pent-4-enylcyclohexyl)methanamine
CID 81010677
hex-5-enylcyclopentane
CID 20565123
2-[2-(1,3-dioxan-2-yl)ethyl]-6-prop-2-enylpiperidine
CID 57372841
(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
CID 87495600
2-pent-4-enylcyclohexan-1-ol
CID 59087603

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-bis(pent-4-enyl)piperidine?
The IUPAC name of (2S,6R)-2,6-bis(pent-4-enyl)piperidine (CID 14680292) is (2S,6R)-2,6-bis(pent-4-enyl)piperidine.
What is the SMILES notation for (2S,6R)-2,6-bis(pent-4-enyl)piperidine?
The canonical SMILES for (2S,6R)-2,6-bis(pent-4-enyl)piperidine is C=CCCC[C@@H]1CCC[C@H](CCCC=C)N1.
What is the InChIKey of (2S,6R)-2,6-bis(pent-4-enyl)piperidine?
The InChIKey is AFBIHOXBWUXQRS-GASCZTMLSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-10-14-12-9-13-15(16-14)11-8-6-4-2/h3-4,14-16H,1-2,5-13H2/t14-,15+.
What are the key properties of (2S,6R)-2,6-bis(pent-4-enyl)piperidine?
(2S,6R)-2,6-bis(pent-4-enyl)piperidine has a molecular weight of 221.39 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-bis(pent-4-enyl)piperidine is sourced from PubChem (CID 14680292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).