(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol

C21H27NO3 — CID 6587283

IUPAC(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
SMILESCC[C@@H]1C(c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@H]1O
InChIInChI=1S/C21H27NO3/c1-4-18-20(23)13-19(14-5-9-16(24-2)10-6-14)22-21(18)15-7-11-17(25-3)12-8-15/h5-12,18-23H,4,13H2,1-3H3/t18-,19+,20+,21?/m0/s1
InChIKeyWBWWKIRERSPQIP-HVZPKCFKSA-N
MW341.45 g/mol
LogP3.87
Rot. Bonds5

About (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol

(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol (PubChem CID 6587283) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
PubChem CID6587283
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
SMILESCC[C@@H]1C(c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@H]1O
InChIInChI=1S/C21H27NO3/c1-4-18-20(23)13-19(14-5-9-16(24-2)10-6-14)22-21(18)15-7-11-17(25-3)12-8-15/h5-12,18-23H,4,13H2,1-3H3/t18-,19+,20+,21?/m0/s1
InChIKeyWBWWKIRERSPQIP-HVZPKCFKSA-N
XLogP3.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
CID 7104544
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
(2S,3R,4R,5R)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
CID 134964565
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
CID 2870022
(2R,3S,4R,6S)-2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol
CID 41031072
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 4518766
3-(4-ethoxyphenyl)-2-ethylcyclobutan-1-ol
CID 81416198

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol?
The IUPAC name of (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol (CID 6587283) is (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol is CC[C@@H]1C(c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@H]1O.
What is the InChIKey of (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol?
The InChIKey is WBWWKIRERSPQIP-HVZPKCFKSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-18-20(23)13-19(14-5-9-16(24-2)10-6-14)22-21(18)15-7-11-17(25-3)12-8-15/h5-12,18-23H,4,13H2,1-3H3/t18-,19+,20+,21?/m0/s1.
What are the key properties of (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol?
(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol has a molecular weight of 341.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 6587283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).