(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine

C19H37N — CID 87495600

IUPAC(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
SMILESCCCCCCCC/C=C/CCC[C@H]1CCC[C@H](C)N1
InChIInChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19/h10-11,18-20H,3-9,12-17H2,1-2H3/b11-10+/t18-,19-/m0/s1
InChIKeyKGZVUZULXQDUBG-MIMFYIINSA-N
MW279.51 g/mol
LogP5.99
Rot. Bonds11

About (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine

(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine (PubChem CID 87495600) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
PubChem CID87495600
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
SMILESCCCCCCCC/C=C/CCC[C@H]1CCC[C@H](C)N1
InChIInChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19/h10-11,18-20H,3-9,12-17H2,1-2H3/b11-10+/t18-,19-/m0/s1
InChIKeyKGZVUZULXQDUBG-MIMFYIINSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.99
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

(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
CID 131877830
(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
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
N-[(6-methylpiperidin-2-yl)methyl]octanamide
CID 62322643
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
2-(2-cyclopropylethyl)-6-methylpiperidine
CID 106779887

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine?
The IUPAC name of (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine (CID 87495600) is (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine.
What is the SMILES notation for (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine?
The canonical SMILES for (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine is CCCCCCCC/C=C/CCC[C@H]1CCC[C@H](C)N1.
What is the InChIKey of (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine?
The InChIKey is KGZVUZULXQDUBG-MIMFYIINSA-N. The full InChI is InChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19/h10-11,18-20H,3-9,12-17H2,1-2H3/b11-10+/t18-,19-/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine?
(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine has a molecular weight of 279.51 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine is sourced from PubChem (CID 87495600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).