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

C14H21NO2S — CID 111111498

IUPAC1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
SMILESCOc1cc(CN2CCCC(O)C2)ccc1SC
InChIInChI=1S/C14H21NO2S/c1-17-13-8-11(5-6-14(13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyWGRAIJFUDUBDKX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.37
Rot. Bonds4

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

1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol (PubChem CID 111111498) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
PubChem CID111111498
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
SMILESCOc1cc(CN2CCCC(O)C2)ccc1SC
InChIInChI=1S/C14H21NO2S/c1-17-13-8-11(5-6-14(13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyWGRAIJFUDUBDKX-UHFFFAOYSA-N
XLogP2.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[(3R)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 95249651
N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 56785606
N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 56785604
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol (CID 111111498) is 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol is COc1cc(CN2CCCC(O)C2)ccc1SC.
What is the InChIKey of 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol?
The InChIKey is WGRAIJFUDUBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-17-13-8-11(5-6-14(13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol?
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol has a molecular weight of 267.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 111111498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).