[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol

C22H29NOS — CID 45249436

IUPAC[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
SMILESCSc1ccc(CN2CCCC(CO)(Cc3ccccc3C)C2)cc1
InChIInChI=1S/C22H29NOS/c1-18-6-3-4-7-20(18)14-22(17-24)12-5-13-23(16-22)15-19-8-10-21(25-2)11-9-19/h3-4,6-11,24H,5,12-17H2,1-2H3
InChIKeyCRLTYSFVFXESTA-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.53
Rot. Bonds6

About [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol

[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45249436) has the molecular formula C22H29NOS and a molecular weight of 355.55 g/mol. Its IUPAC name is [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID45249436
Molecular FormulaC22H29NOS
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
SMILESCSc1ccc(CN2CCCC(CO)(Cc3ccccc3C)C2)cc1
InChIInChI=1S/C22H29NOS/c1-18-6-3-4-7-20(18)14-22(17-24)12-5-13-23(16-22)15-19-8-10-21(25-2)11-9-19/h3-4,6-11,24H,5,12-17H2,1-2H3
InChIKeyCRLTYSFVFXESTA-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 26410395
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 28954788
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 56863920
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45189123
[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45244979
[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol (CID 45249436) is [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol is CSc1ccc(CN2CCCC(CO)(Cc3ccccc3C)C2)cc1.
What is the InChIKey of [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is CRLTYSFVFXESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOS/c1-18-6-3-4-7-20(18)14-22(17-24)12-5-13-23(16-22)15-19-8-10-21(25-2)11-9-19/h3-4,6-11,24H,5,12-17H2,1-2H3.
What are the key properties of [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 355.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45249436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).