(3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone

C20H20ClF2NO2 — CID 45176110

IUPAC(3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H20ClF2NO2/c21-17-4-1-3-16(18(17)23)19(26)24-10-2-9-20(12-24,13-25)11-14-5-7-15(22)8-6-14/h1,3-8,25H,2,9-13H2
InChIKeyGOZXPFSPVHHCJH-UHFFFAOYSA-N
MW379.83 g/mol
LogP4.08
Rot. Bonds4

About (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 45176110) has the molecular formula C20H20ClF2NO2 and a molecular weight of 379.83 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID45176110
Molecular FormulaC20H20ClF2NO2
Molecular Weight379.83 g/mol
Exact Mass379.12
IUPAC Name(3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCCC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H20ClF2NO2/c21-17-4-1-3-16(18(17)23)19(26)24-10-2-9-20(12-24,13-25)11-14-5-7-15(22)8-6-14/h1,3-8,25H,2,9-13H2
InChIKeyGOZXPFSPVHHCJH-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 45176110) is (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1F)N1CCCC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is GOZXPFSPVHHCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2NO2/c21-17-4-1-3-16(18(17)23)19(26)24-10-2-9-20(12-24,13-25)11-14-5-7-15(22)8-6-14/h1,3-8,25H,2,9-13H2.
What are the key properties of (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 379.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45176110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).