[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol

C15H23NOS — CID 146666700

IUPAC[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol
SMILESCc1cc(C)c(SN2CCC(CO)CC2)c(C)c1
InChIInChI=1S/C15H23NOS/c1-11-8-12(2)15(13(3)9-11)18-16-6-4-14(10-17)5-7-16/h8-9,14,17H,4-7,10H2,1-3H3
InChIKeySCVXLLPKVSMSIZ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.32
Rot. Bonds3

About [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol

[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol (PubChem CID 146666700) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol
PubChem CID146666700
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol
SMILESCc1cc(C)c(SN2CCC(CO)CC2)c(C)c1
InChIInChI=1S/C15H23NOS/c1-11-8-12(2)15(13(3)9-11)18-16-6-4-14(10-17)5-7-16/h8-9,14,17H,4-7,10H2,1-3H3
InChIKeySCVXLLPKVSMSIZ-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol?
The IUPAC name of [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol (CID 146666700) is [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol is Cc1cc(C)c(SN2CCC(CO)CC2)c(C)c1.
What is the InChIKey of [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol?
The InChIKey is SCVXLLPKVSMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-8-12(2)15(13(3)9-11)18-16-6-4-14(10-17)5-7-16/h8-9,14,17H,4-7,10H2,1-3H3.
What are the key properties of [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol?
[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol has a molecular weight of 265.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol is sourced from PubChem (CID 146666700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).