(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

C20H22FNO4 — CID 3228788

IUPAC(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C20H22FNO4/c1-25-17-8-3-14(13-18(17)26-2)19(23)22-11-9-20(24,10-12-22)15-4-6-16(21)7-5-15/h3-8,13,24H,9-12H2,1-2H3
InChIKeyIJCPCBIGWHLEEZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.97
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 3228788) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID3228788
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C20H22FNO4/c1-25-17-8-3-14(13-18(17)26-2)19(23)22-11-9-20(24,10-12-22)15-4-6-16(21)7-5-15/h3-8,13,24H,9-12H2,1-2H3
InChIKeyIJCPCBIGWHLEEZ-UHFFFAOYSA-N
XLogP2.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Muramine
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N-[2-(4-hydroxyphenyl)ethyl]-3,4-dipentoxybenzamide
CID 19363251
2-[[4-Fluoro-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 73603358
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone
CID 89048
8-Oxopseudopalmatine
CID 392605
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CID 23644770

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 3228788) is (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is IJCPCBIGWHLEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-25-17-8-3-14(13-18(17)26-2)19(23)22-11-9-20(24,10-12-22)15-4-6-16(21)7-5-15/h3-8,13,24H,9-12H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 359.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 3228788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).