(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine

C21H41N — CID 131877830

IUPAC(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
SMILESCCCCCCCC/C=C\CCCCC[C@@H]1CCC[C@@H](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-/t20-,21-/m1/s1
InChIKeyMCONQKHTWCXBGX-XUGGCNTGSA-N
MW307.57 g/mol
LogP6.77
Rot. Bonds13

About (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine

(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine (PubChem CID 131877830) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine.

Molecular Properties

Compound Name(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
PubChem CID131877830
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
SMILESCCCCCCCC/C=C\CCCCC[C@@H]1CCC[C@@H](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-/t20-,21-/m1/s1
InChIKeyMCONQKHTWCXBGX-XUGGCNTGSA-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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Related Compounds

(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
CID 87495600
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
N-[(6-methylpiperidin-2-yl)methyl]octanamide
CID 62322643
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine?
The IUPAC name of (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine (CID 131877830) is (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine.
What is the SMILES notation for (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine?
The canonical SMILES for (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine is CCCCCCCC/C=C\CCCCC[C@@H]1CCC[C@@H](C)N1.
What is the InChIKey of (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine?
The InChIKey is MCONQKHTWCXBGX-XUGGCNTGSA-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-/t20-,21-/m1/s1.
What are the key properties of (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine?
(2R,6R)-2-methyl-6-[(Z)-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 (2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine is sourced from PubChem (CID 131877830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).