1,2-bis(6-cyclohexylhex-3-enyl)piperidine

C29H51N — CID 54061458

IUPAC1,2-bis(6-cyclohexylhex-3-enyl)piperidine
SMILESC(=CCCC1CCCCN1CCC=CCCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C29H51N/c1(7-17-27-19-9-5-10-20-27)2-13-23-29-24-14-16-26-30(29)25-15-4-3-8-18-28-21-11-6-12-22-28/h1-4,27-29H,5-26H2
InChIKeyMAAACHJDBJSLKS-UHFFFAOYSA-N
MW413.73 g/mol
LogP8.84
Rot. Bonds12

About 1,2-bis(6-cyclohexylhex-3-enyl)piperidine

1,2-bis(6-cyclohexylhex-3-enyl)piperidine (PubChem CID 54061458) has the molecular formula C29H51N and a molecular weight of 413.73 g/mol. Its IUPAC name is 1,2-bis(6-cyclohexylhex-3-enyl)piperidine.

Molecular Properties

Compound Name1,2-bis(6-cyclohexylhex-3-enyl)piperidine
PubChem CID54061458
Molecular FormulaC29H51N
Molecular Weight413.73 g/mol
Exact Mass413.40
IUPAC Name1,2-bis(6-cyclohexylhex-3-enyl)piperidine
SMILESC(=CCCC1CCCCN1CCC=CCCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C29H51N/c1(7-17-27-19-9-5-10-20-27)2-13-23-29-24-14-16-26-30(29)25-15-4-3-8-18-28-21-11-6-12-22-28/h1-4,27-29H,5-26H2
InChIKeyMAAACHJDBJSLKS-UHFFFAOYSA-N
XLogP8.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(6-cyclohexylhex-3-enyl)piperidine?
The IUPAC name of 1,2-bis(6-cyclohexylhex-3-enyl)piperidine (CID 54061458) is 1,2-bis(6-cyclohexylhex-3-enyl)piperidine.
What is the SMILES notation for 1,2-bis(6-cyclohexylhex-3-enyl)piperidine?
The canonical SMILES for 1,2-bis(6-cyclohexylhex-3-enyl)piperidine is C(=CCCC1CCCCN1CCC=CCCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of 1,2-bis(6-cyclohexylhex-3-enyl)piperidine?
The InChIKey is MAAACHJDBJSLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N/c1(7-17-27-19-9-5-10-20-27)2-13-23-29-24-14-16-26-30(29)25-15-4-3-8-18-28-21-11-6-12-22-28/h1-4,27-29H,5-26H2.
What are the key properties of 1,2-bis(6-cyclohexylhex-3-enyl)piperidine?
1,2-bis(6-cyclohexylhex-3-enyl)piperidine has a molecular weight of 413.73 g/mol, XLogP of 8.84, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6-cyclohexylhex-3-enyl)piperidine is sourced from PubChem (CID 54061458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).