1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol

C22H29NOS — CID 22961021

IUPAC1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol
SMILESCC(C)CSc1ccccc1C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29NOS/c1-18(2)17-25-21-11-7-6-10-20(21)22(24)12-14-23(15-13-22)16-19-8-4-3-5-9-19/h3-11,18,24H,12-17H2,1-2H3
InChIKeyIBFPZIQMOIEVAS-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.92
Rot. Bonds6

About 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol

1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol (PubChem CID 22961021) has the molecular formula C22H29NOS and a molecular weight of 355.55 g/mol. Its IUPAC name is 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol
PubChem CID22961021
Molecular FormulaC22H29NOS
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol
SMILESCC(C)CSc1ccccc1C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29NOS/c1-18(2)17-25-21-11-7-6-10-20(21)22(24)12-14-23(15-13-22)16-19-8-4-3-5-9-19/h3-11,18,24H,12-17H2,1-2H3
InChIKeyIBFPZIQMOIEVAS-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
CID 130546152
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 16674054
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol (CID 22961021) is 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol is CC(C)CSc1ccccc1C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol?
The InChIKey is IBFPZIQMOIEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOS/c1-18(2)17-25-21-11-7-6-10-20(21)22(24)12-14-23(15-13-22)16-19-8-4-3-5-9-19/h3-11,18,24H,12-17H2,1-2H3.
What are the key properties of 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol?
1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol has a molecular weight of 355.55 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(2-methylpropylsulfanyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 22961021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).