4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol

C15H23NOS — CID 81043411

IUPAC4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol
SMILESCC(C)c1ccc(SCC2(O)CCNCC2)cc1
InChIInChI=1S/C15H23NOS/c1-12(2)13-3-5-14(6-4-13)18-11-15(17)7-9-16-10-8-15/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyLIBRPQTVIDGDCL-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.02
Rot. Bonds4

About 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol

4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol (PubChem CID 81043411) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol
PubChem CID81043411
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol
SMILESCC(C)c1ccc(SCC2(O)CCNCC2)cc1
InChIInChI=1S/C15H23NOS/c1-12(2)13-3-5-14(6-4-13)18-11-15(17)7-9-16-10-8-15/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyLIBRPQTVIDGDCL-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol?
The IUPAC name of 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol (CID 81043411) is 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol is CC(C)c1ccc(SCC2(O)CCNCC2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol?
The InChIKey is LIBRPQTVIDGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(2)13-3-5-14(6-4-13)18-11-15(17)7-9-16-10-8-15/h3-6,12,16-17H,7-11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol?
4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol has a molecular weight of 265.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)sulfanylmethyl]piperidin-4-ol is sourced from PubChem (CID 81043411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).