(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol

C18H23NO2S — CID 133115423

IUPAC(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
SMILESCOc1cccc([C@H]2CCN(Cc3sccc3C)C[C@@H]2O)c1
InChIInChI=1S/C18H23NO2S/c1-13-7-9-22-18(13)12-19-8-6-16(17(20)11-19)14-4-3-5-15(10-14)21-2/h3-5,7,9-10,16-17,20H,6,8,11-12H2,1-2H3/t16-,17+/m1/s1
InChIKeyCSGXZDBWBCKKEC-SJORKVTESA-N
MW317.45 g/mol
LogP3.42
Rot. Bonds4

About (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol

(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol (PubChem CID 133115423) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
PubChem CID133115423
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
SMILESCOc1cccc([C@H]2CCN(Cc3sccc3C)C[C@@H]2O)c1
InChIInChI=1S/C18H23NO2S/c1-13-7-9-22-18(13)12-19-8-6-16(17(20)11-19)14-4-3-5-15(10-14)21-2/h3-5,7,9-10,16-17,20H,6,8,11-12H2,1-2H3/t16-,17+/m1/s1
InChIKeyCSGXZDBWBCKKEC-SJORKVTESA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 50971136
1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
(3S,4S)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol
CID 50964084
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 50959036
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
(3R,4R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperidin-3-ol
CID 133114880
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
(3S,4S)-4-(3-methoxyphenyl)-1-(thian-4-yl)piperidin-3-ol
CID 50966979
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
(3,5-dimethoxyphenyl)-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 50966679
N-(5-chloro-2-methoxyphenyl)-2-[(3S,4S)-3-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
CID 7442422

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol (CID 133115423) is (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol is COc1cccc([C@H]2CCN(Cc3sccc3C)C[C@@H]2O)c1.
What is the InChIKey of (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
The InChIKey is CSGXZDBWBCKKEC-SJORKVTESA-N. The full InChI is InChI=1S/C18H23NO2S/c1-13-7-9-22-18(13)12-19-8-6-16(17(20)11-19)14-4-3-5-15(10-14)21-2/h3-5,7,9-10,16-17,20H,6,8,11-12H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol?
(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol has a molecular weight of 317.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 133115423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).