1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol

C15H23NOS — CID 130863871

IUPAC1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
SMILESCC1CC(CS)C(O)C(C)N1Cc1ccccc1
InChIInChI=1S/C15H23NOS/c1-11-8-14(10-18)15(17)12(2)16(11)9-13-6-4-3-5-7-13/h3-7,11-12,14-15,17-18H,8-10H2,1-2H3
InChIKeyQSABGDFHMRQSNC-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.58
Rot. Bonds3

About 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol

1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol (PubChem CID 130863871) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
PubChem CID130863871
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol
SMILESCC1CC(CS)C(O)C(C)N1Cc1ccccc1
InChIInChI=1S/C15H23NOS/c1-11-8-14(10-18)15(17)12(2)16(11)9-13-6-4-3-5-7-13/h3-7,11-12,14-15,17-18H,8-10H2,1-2H3
InChIKeyQSABGDFHMRQSNC-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,6R)-1-benzyl-2,3,6-trimethylpiperidin-4-amine
CID 95242050
(2R,3S,4R,6S)-1-benzyl-2,4,6-trimethylpiperidin-3-amine
CID 124710393
(1R,2R,4R,6S)-3-benzyl-2,4-dimethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124747563
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
CID 54593744
(2S,3S,5S,6R)-1-benzyl-2,5,6-trimethylpiperidin-3-amine
CID 95242096
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
CID 83488247
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
(1S)-2-benzyl-3-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118951753
(3S,7R,8aR)-2-benzyl-7-hydroxy-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66972950

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol (CID 130863871) is 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol is CC1CC(CS)C(O)C(C)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol?
The InChIKey is QSABGDFHMRQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-8-14(10-18)15(17)12(2)16(11)9-13-6-4-3-5-7-13/h3-7,11-12,14-15,17-18H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol?
1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol has a molecular weight of 265.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,6-dimethyl-4-(sulfanylmethyl)piperidin-3-ol is sourced from PubChem (CID 130863871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).