(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride

C19H40ClN — CID 24773513

IUPAC(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
SMILESCCCCCCCCCCCCC[C@@H]1CCC[C@H](C)N1.Cl
InChIInChI=1S/C19H39N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19;/h18-20H,3-17H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyPHPFNPNVBJWJKS-GRTNUQQKSA-N
MW317.99 g/mol
LogP6.64
Rot. Bonds12

About (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride

(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride (PubChem CID 24773513) has the molecular formula C19H40ClN and a molecular weight of 317.99 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
PubChem CID24773513
Molecular FormulaC19H40ClN
Molecular Weight317.99 g/mol
Exact Mass317.28
IUPAC Name(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
SMILESCCCCCCCCCCCCC[C@@H]1CCC[C@H](C)N1.Cl
InChIInChI=1S/C19H39N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19;/h18-20H,3-17H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyPHPFNPNVBJWJKS-GRTNUQQKSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.99
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
CID 131877830
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
CID 87495600
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
CID 67498965

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride?
The IUPAC name of (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride (CID 24773513) is (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride.
What is the SMILES notation for (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride?
The canonical SMILES for (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride is CCCCCCCCCCCCC[C@@H]1CCC[C@H](C)N1.Cl.
What is the InChIKey of (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride?
The InChIKey is PHPFNPNVBJWJKS-GRTNUQQKSA-N. The full InChI is InChI=1S/C19H39N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19;/h18-20H,3-17H2,1-2H3;1H/t18-,19+;/m0./s1.
What are the key properties of (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride?
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride has a molecular weight of 317.99 g/mol, XLogP of 6.64, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride is sourced from PubChem (CID 24773513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).