4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine

C17H25NO2S — CID 45489095

IUPAC4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine
SMILESCOc1ccc(SC2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C17H25NO2S/c1-19-15-2-4-16(5-3-15)21-17-6-10-18(11-7-17)14-8-12-20-13-9-14/h2-5,14,17H,6-13H2,1H3
InChIKeyJNPJNINPBQOJBV-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.43
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine

4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine (PubChem CID 45489095) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine
PubChem CID45489095
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine
SMILESCOc1ccc(SC2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C17H25NO2S/c1-19-15-2-4-16(5-3-15)21-17-6-10-18(11-7-17)14-8-12-20-13-9-14/h2-5,14,17H,6-13H2,1H3
InChIKeyJNPJNINPBQOJBV-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine (CID 45489095) is 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine is COc1ccc(SC2CCN(C3CCOCC3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine?
The InChIKey is JNPJNINPBQOJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-19-15-2-4-16(5-3-15)21-17-6-10-18(11-7-17)14-8-12-20-13-9-14/h2-5,14,17H,6-13H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine?
4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine has a molecular weight of 307.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 45489095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).