(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol

C17H27NO2S — CID 133112471

IUPAC(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol
SMILESCOCC[C@@]1(O)CCN(Cc2cccc(SC)c2)C[C@@H]1C
InChIInChI=1S/C17H27NO2S/c1-14-12-18(9-7-17(14,19)8-10-20-2)13-15-5-4-6-16(11-15)21-3/h4-6,11,14,19H,7-10,12-13H2,1-3H3/t14-,17-/m0/s1
InChIKeyCUGNVTIWSMCJAD-YOEHRIQHSA-N
MW309.47 g/mol
LogP3.02
Rot. Bonds6

About (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol

(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol (PubChem CID 133112471) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol
PubChem CID133112471
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol
SMILESCOCC[C@@]1(O)CCN(Cc2cccc(SC)c2)C[C@@H]1C
InChIInChI=1S/C17H27NO2S/c1-14-12-18(9-7-17(14,19)8-10-20-2)13-15-5-4-6-16(11-15)21-3/h4-6,11,14,19H,7-10,12-13H2,1-3H3/t14-,17-/m0/s1
InChIKeyCUGNVTIWSMCJAD-YOEHRIQHSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-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

(3R,4R)-4-(2-methoxyethyl)-1-[(2-methoxy-4-methylphenyl)methyl]-3-methylpiperidin-4-ol
CID 72925834
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 72852998
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
2-(3-methoxypropyl)-8-[(3-methylsulfanylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72867341
2-(3-methoxypropyl)-9-[(3-methylsulfanylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70724783
3-ethyl-1-[(3-methylsulfanylphenyl)methyl]azetidine
CID 164557618
(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 72913982
N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 156605068
N,N,N'-trimethyl-N'-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]propane-1,3-diamine
CID 29257171
4-[(3-methylsulfanylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74242478
(3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134708803
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol?
The IUPAC name of (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol (CID 133112471) is (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol is COCC[C@@]1(O)CCN(Cc2cccc(SC)c2)C[C@@H]1C.
What is the InChIKey of (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol?
The InChIKey is CUGNVTIWSMCJAD-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-14-12-18(9-7-17(14,19)8-10-20-2)13-15-5-4-6-16(11-15)21-3/h4-6,11,14,19H,7-10,12-13H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol?
(3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol has a molecular weight of 309.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-methoxyethyl)-3-methyl-1-[(3-methylsulfanylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 133112471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).