1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol

C20H23Cl2NO3 — CID 51501484

IUPAC1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23Cl2NO3/c1-26-16-5-3-15(4-6-16)20(25)8-10-23(11-9-20)13-19(24)14-2-7-17(21)18(22)12-14/h2-7,12,19,24-25H,8-11,13H2,1H3/t19-/m0/s1
InChIKeyMFSFZMCGJIGCCP-IBGZPJMESA-N
MW396.31 g/mol
LogP4.02
Rot. Bonds5

About 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol

1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol (PubChem CID 51501484) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
PubChem CID51501484
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23Cl2NO3/c1-26-16-5-3-15(4-6-16)20(25)8-10-23(11-9-20)13-19(24)14-2-7-17(21)18(22)12-14/h2-7,12,19,24-25H,8-11,13H2,1H3/t19-/m0/s1
InChIKeyMFSFZMCGJIGCCP-IBGZPJMESA-N
XLogP4.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501554
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11705066
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501544
1-[2-(3-ethyl-4-hydroxyphenyl)-2-hydroxyethyl]-4-(6-methoxy-3-pyridinyl)piperidin-4-ol;hydrochloride
CID 69453220
1-[4,4-bis(4-methoxyphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53322618
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol (CID 51501484) is 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol is COc1ccc(C2(O)CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
The InChIKey is MFSFZMCGJIGCCP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-26-16-5-3-15(4-6-16)20(25)8-10-23(11-9-20)13-19(24)14-2-7-17(21)18(22)12-14/h2-7,12,19,24-25H,8-11,13H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol?
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol has a molecular weight of 396.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 51501484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).