(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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Related Compounds

N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405743
[1-(5-Chloro-2-fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188698
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
[1-(2-Chlorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16191953
US9102591, 3-Chloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2-fluoro-benzamide
CID 117869734
[1-(3-Chlorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16192343
[3-(3-Chlorobenzyl)-1-(3,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724054
(1-(3-Chlorobenzoyl)piperidin-4-yl)(4-fluorophenyl)methanone
CID 46906171
Ethyl 1-(3-chloro-4-fluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46942516
US9102591, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2,3,5-trifluoro-benzamide
CID 117870067
US9102591, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2,5-difluoro-benzamide
CID 117870317
US11440922, Example 119
CID 137372043

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).