[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C21H23ClFNO2 — CID 23503572

IUPAC[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClFNO2/c1-26-20(15-2-6-18(22)7-3-15)14-24-12-10-17(11-13-24)21(25)16-4-8-19(23)9-5-16/h2-9,17,20H,10-14H2,1H3
InChIKeyWTPBVCWNYNADPZ-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.76
Rot. Bonds6

About [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 23503572) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID23503572
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESCOC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClFNO2/c1-26-20(15-2-6-18(22)7-3-15)14-24-12-10-17(11-13-24)21(25)16-4-8-19(23)9-5-16/h2-9,17,20H,10-14H2,1H3
InChIKeyWTPBVCWNYNADPZ-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[1-[2-methoxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methanone
CID 23515444
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
[1-(4-ethylphenyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl] methyl carbonate;(4-fluorophenyl)-piperidin-4-ylmethanone
CID 160879355
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(3,4-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 19811877
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
(4-fluorophenyl)-[1-[2-methoxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanone
CID 91362838
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842
(4-fluorophenyl)-[1-[2-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanone;trihydrochloride
CID 23503581
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 23503572) is [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone is COC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is WTPBVCWNYNADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c1-26-20(15-2-6-18(22)7-3-15)14-24-12-10-17(11-13-24)21(25)16-4-8-19(23)9-5-16/h2-9,17,20H,10-14H2,1H3.
What are the key properties of [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 375.87 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 23503572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).