1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol

C15H23NOS — CID 82074348

IUPAC1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
SMILESCSc1ccc(C(O)CCN2CCCCC2)cc1
InChIInChI=1S/C15H23NOS/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8,15,17H,2-4,9-12H2,1H3
InChIKeyGIPRKVHWPSLSRR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol

1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol (PubChem CID 82074348) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
PubChem CID82074348
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
SMILESCSc1ccc(C(O)CCN2CCCCC2)cc1
InChIInChI=1S/C15H23NOS/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8,15,17H,2-4,9-12H2,1H3
InChIKeyGIPRKVHWPSLSRR-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
CID 21153353
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(4-methylsulfanylphenyl)acetic acid
CID 72917030
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol (CID 82074348) is 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol is CSc1ccc(C(O)CCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol?
The InChIKey is GIPRKVHWPSLSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16/h5-8,15,17H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol?
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 82074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).