(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone

C22H26FNO4 — CID 19811877

IUPAC(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(CC(O)c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C22H26FNO4/c1-27-20-8-5-17(13-21(20)28-2)22(26)16-9-11-24(12-10-16)14-19(25)15-3-6-18(23)7-4-15/h3-8,13,16,19,25H,9-12,14H2,1-2H3
InChIKeyFAFUADYJSVWHCL-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.47
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone

(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone (PubChem CID 19811877) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
PubChem CID19811877
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(CC(O)c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C22H26FNO4/c1-27-20-8-5-17(13-21(20)28-2)22(26)16-9-11-24(12-10-16)14-19(25)15-3-6-18(23)7-4-15/h3-8,13,16,19,25H,9-12,14H2,1-2H3
InChIKeyFAFUADYJSVWHCL-UHFFFAOYSA-N
XLogP3.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropoxy]-4-methoxyphenyl]pyrrolidin-2-one
CID 23345033
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone
CID 23515444
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 70424100
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55831351

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone (CID 19811877) is (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(CC(O)c3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone?
The InChIKey is FAFUADYJSVWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-27-20-8-5-17(13-21(20)28-2)22(26)16-9-11-24(12-10-16)14-19(25)15-3-6-18(23)7-4-15/h3-8,13,16,19,25H,9-12,14H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone?
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone has a molecular weight of 387.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 19811877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).