1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone

C20H21ClFNO — CID 841921

IUPAC1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21ClFNO/c21-18-7-4-8-19(22)17(18)14-20(24)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2
InChIKeyMIOBSHWCHOWCKG-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 841921) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID841921
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21ClFNO/c21-18-7-4-8-19(22)17(18)14-20(24)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2
InChIKeyMIOBSHWCHOWCKG-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 841921) is 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is MIOBSHWCHOWCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO/c21-18-7-4-8-19(22)17(18)14-20(24)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 345.85 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 841921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).