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

C20H21F2NO2 — CID 45176446

IUPAC(2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-17-8-3-1-6-15(17)12-20(14-24)10-5-11-23(13-20)19(25)16-7-2-4-9-18(16)22/h1-4,6-9,24H,5,10-14H2
InChIKeyMOMHPDREDNRFOR-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.42
Rot. Bonds4

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

(2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 45176446) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID45176446
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name(2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-17-8-3-1-6-15(17)12-20(14-24)10-5-11-23(13-20)19(25)16-7-2-4-9-18(16)22/h1-4,6-9,24H,5,10-14H2
InChIKeyMOMHPDREDNRFOR-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 45176446) is (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC(CO)(Cc2ccccc2F)C1.
What is the InChIKey of (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is MOMHPDREDNRFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-17-8-3-1-6-15(17)12-20(14-24)10-5-11-23(13-20)19(25)16-7-2-4-9-18(16)22/h1-4,6-9,24H,5,10-14H2.
What are the key properties of (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 345.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45176446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).