1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol

C18H21NOS — CID 12929368

IUPAC1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol
SMILESCN1CCC(Sc2ccccc2)(c2ccccc2)C(O)C1
InChIInChI=1S/C18H21NOS/c1-19-13-12-18(17(20)14-19,15-8-4-2-5-9-15)21-16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3
InChIKeyHQCQHRQUDPEQSO-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.37
Rot. Bonds3

About 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol

1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol (PubChem CID 12929368) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol.

Molecular Properties

Compound Name1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol
PubChem CID12929368
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol
SMILESCN1CCC(Sc2ccccc2)(c2ccccc2)C(O)C1
InChIInChI=1S/C18H21NOS/c1-19-13-12-18(17(20)14-19,15-8-4-2-5-9-15)21-16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3
InChIKeyHQCQHRQUDPEQSO-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol?
The IUPAC name of 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol (CID 12929368) is 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol.
What is the SMILES notation for 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol?
The canonical SMILES for 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol is CN1CCC(Sc2ccccc2)(c2ccccc2)C(O)C1.
What is the InChIKey of 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol?
The InChIKey is HQCQHRQUDPEQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-19-13-12-18(17(20)14-19,15-8-4-2-5-9-15)21-16-10-6-3-7-11-16/h2-11,17,20H,12-14H2,1H3.
What are the key properties of 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol?
1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol has a molecular weight of 299.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-4-phenylsulfanylpiperidin-3-ol is sourced from PubChem (CID 12929368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).