3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol

C14H21NOS — CID 115874101

IUPAC3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
SMILESCSc1ccc(CN2CCCC(C)(O)C2)cc1
InChIInChI=1S/C14H21NOS/c1-14(16)8-3-9-15(11-14)10-12-4-6-13(17-2)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKeyXTDYHULDNNQGPU-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol

3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol (PubChem CID 115874101) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
PubChem CID115874101
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
SMILESCSc1ccc(CN2CCCC(C)(O)C2)cc1
InChIInChI=1S/C14H21NOS/c1-14(16)8-3-9-15(11-14)10-12-4-6-13(17-2)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKeyXTDYHULDNNQGPU-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873581
(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
CID 99955193
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
CID 106785727

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol (CID 115874101) is 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol is CSc1ccc(CN2CCCC(C)(O)C2)cc1.
What is the InChIKey of 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol?
The InChIKey is XTDYHULDNNQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(16)8-3-9-15(11-14)10-12-4-6-13(17-2)7-5-12/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol?
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol has a molecular weight of 251.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 115874101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).