2-methyl-6-[(E)-pentadec-6-enyl]piperidine

C21H41N — CID 5458392

IUPAC2-methyl-6-[(E)-pentadec-6-enyl]piperidine
SMILESCCCCCCCC/C=C/CCCCCC1CCCC(C)N1
InChIInChI=1S/C21H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)22-21/h10-11,20-22H,3-9,12-19H2,1-2H3/b11-10+
InChIKeyMCONQKHTWCXBGX-ZHACJKMWSA-N
MW307.57 g/mol
LogP6.77
Rot. Bonds13

About 2-methyl-6-[(E)-pentadec-6-enyl]piperidine

2-methyl-6-[(E)-pentadec-6-enyl]piperidine (PubChem CID 5458392) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 2-methyl-6-[(E)-pentadec-6-enyl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[(E)-pentadec-6-enyl]piperidine
PubChem CID5458392
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name2-methyl-6-[(E)-pentadec-6-enyl]piperidine
SMILESCCCCCCCC/C=C/CCCCCC1CCCC(C)N1
InChIInChI=1S/C21H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)22-21/h10-11,20-22H,3-9,12-19H2,1-2H3/b11-10+
InChIKeyMCONQKHTWCXBGX-ZHACJKMWSA-N
XLogP6.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.77
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-pentadec-6-enyl]piperidine?
The IUPAC name of 2-methyl-6-[(E)-pentadec-6-enyl]piperidine (CID 5458392) is 2-methyl-6-[(E)-pentadec-6-enyl]piperidine.
What is the SMILES notation for 2-methyl-6-[(E)-pentadec-6-enyl]piperidine?
The canonical SMILES for 2-methyl-6-[(E)-pentadec-6-enyl]piperidine is CCCCCCCC/C=C/CCCCCC1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-[(E)-pentadec-6-enyl]piperidine?
The InChIKey is MCONQKHTWCXBGX-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2)22-21/h10-11,20-22H,3-9,12-19H2,1-2H3/b11-10+.
What are the key properties of 2-methyl-6-[(E)-pentadec-6-enyl]piperidine?
2-methyl-6-[(E)-pentadec-6-enyl]piperidine has a molecular weight of 307.57 g/mol, XLogP of 6.77, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-pentadec-6-enyl]piperidine is sourced from PubChem (CID 5458392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).