3-(piperidin-4-ylmethylsulfinyl)phenol

C12H17NO2S — CID 84701440

IUPAC3-(piperidin-4-ylmethylsulfinyl)phenol
SMILESO=S(CC1CCNCC1)c1cccc(O)c1
InChIInChI=1S/C12H17NO2S/c14-11-2-1-3-12(8-11)16(15)9-10-4-6-13-7-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyKOFRWQKBCIKXFW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.50
Rot. Bonds3

About 3-(piperidin-4-ylmethylsulfinyl)phenol

3-(piperidin-4-ylmethylsulfinyl)phenol (PubChem CID 84701440) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethylsulfinyl)phenol.

Molecular Properties

Compound Name3-(piperidin-4-ylmethylsulfinyl)phenol
PubChem CID84701440
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(piperidin-4-ylmethylsulfinyl)phenol
SMILESO=S(CC1CCNCC1)c1cccc(O)c1
InChIInChI=1S/C12H17NO2S/c14-11-2-1-3-12(8-11)16(15)9-10-4-6-13-7-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyKOFRWQKBCIKXFW-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-4-ylmethyl)phenol
CID 83261812
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
CID 75515923
3-(2-hydroxy-1-piperidin-4-ylpropan-2-yl)phenol
CID 105496580
3-piperidin-4-ylsulfonylphenol
CID 84702713
3-amino-1-[3-(cyclohexylmethylsulfinyl)phenyl]propan-1-one
CID 59280882
3-(pyrrolidin-3-ylmethylsulfonyl)phenol
CID 84702715
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97163529
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
3-[2-(azepan-4-yl)-1-hydroxyethyl]phenol
CID 84698860
3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
CID 84704216
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethylsulfinyl)phenol?
The IUPAC name of 3-(piperidin-4-ylmethylsulfinyl)phenol (CID 84701440) is 3-(piperidin-4-ylmethylsulfinyl)phenol.
What is the SMILES notation for 3-(piperidin-4-ylmethylsulfinyl)phenol?
The canonical SMILES for 3-(piperidin-4-ylmethylsulfinyl)phenol is O=S(CC1CCNCC1)c1cccc(O)c1.
What is the InChIKey of 3-(piperidin-4-ylmethylsulfinyl)phenol?
The InChIKey is KOFRWQKBCIKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-11-2-1-3-12(8-11)16(15)9-10-4-6-13-7-5-10/h1-3,8,10,13-14H,4-7,9H2.
What are the key properties of 3-(piperidin-4-ylmethylsulfinyl)phenol?
3-(piperidin-4-ylmethylsulfinyl)phenol has a molecular weight of 239.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethylsulfinyl)phenol is sourced from PubChem (CID 84701440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).