[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C19H21F2NO3 — CID 24816661

IUPAC[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCC(CO)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C19H21F2NO3/c1-13-16(5-8-25-13)18(24)22-7-2-6-19(11-22,12-23)10-14-3-4-15(20)9-17(14)21/h3-5,8-9,23H,2,6-7,10-12H2,1H3
InChIKeyQZNSOVVYUSPMLM-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.32
Rot. Bonds4

About [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 24816661) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID24816661
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCC(CO)(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C19H21F2NO3/c1-13-16(5-8-25-13)18(24)22-7-2-6-19(11-22,12-23)10-14-3-4-15(20)9-17(14)21/h3-5,8-9,23H,2,6-7,10-12H2,1H3
InChIKeyQZNSOVVYUSPMLM-UHFFFAOYSA-N
XLogP3.32
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 24816661) is [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCCC(CO)(Cc2ccc(F)cc2F)C1.
What is the InChIKey of [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is QZNSOVVYUSPMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-13-16(5-8-25-13)18(24)22-7-2-6-19(11-22,12-23)10-14-3-4-15(20)9-17(14)21/h3-5,8-9,23H,2,6-7,10-12H2,1H3.
What are the key properties of [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 349.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 24816661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).