(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride

C11H24ClN — CID 67499147

IUPAC(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride
SMILESCC(C)CC[C@H]1CCC[C@H](C)N1.Cl
InChIInChI=1S/C11H23N.ClH/c1-9(2)7-8-11-6-4-5-10(3)12-11;/h9-12H,4-8H2,1-3H3;1H/t10-,11+;/m0./s1
InChIKeyNYCZUZQLHCRIFV-VZXYPILPSA-N
MW205.77 g/mol
LogP3.38
Rot. Bonds3

About (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride

(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride (PubChem CID 67499147) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride
PubChem CID67499147
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride
SMILESCC(C)CC[C@H]1CCC[C@H](C)N1.Cl
InChIInChI=1S/C11H23N.ClH/c1-9(2)7-8-11-6-4-5-10(3)12-11;/h9-12H,4-8H2,1-3H3;1H/t10-,11+;/m0./s1
InChIKeyNYCZUZQLHCRIFV-VZXYPILPSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
CID 67498965
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
2-(2-cyclopropylethyl)-6-methylpiperidine
CID 106779887
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
2-(2-methoxyethyl)-6-methylpiperidine
CID 130900787
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
N-[(6-methylpiperidin-2-yl)methyl]butan-2-amine
CID 54855686
[(2R,6R)-6-methylpiperidin-2-yl]methanol
CID 10820546
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
(2S)-2-(3-methylbutyl)piperidine
CID 94379266

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride?
The IUPAC name of (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride (CID 67499147) is (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride.
What is the SMILES notation for (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride?
The canonical SMILES for (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride is CC(C)CC[C@H]1CCC[C@H](C)N1.Cl.
What is the InChIKey of (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride?
The InChIKey is NYCZUZQLHCRIFV-VZXYPILPSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-9(2)7-8-11-6-4-5-10(3)12-11;/h9-12H,4-8H2,1-3H3;1H/t10-,11+;/m0./s1.
What are the key properties of (2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride?
(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride has a molecular weight of 205.77 g/mol, XLogP of 3.38, 3 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-(3-methylbutyl)piperidine;hydrochloride is sourced from PubChem (CID 67499147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).