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

C18H20FNO3 — CID 56783964

IUPAC[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FNO3/c1-12-16(8-11-23-12)18(22)20-9-6-14(7-10-20)17(21)13-2-4-15(19)5-3-13/h2-5,8,11,14,17,21H,6-7,9-10H2,1H3
InChIKeyDTEXMTIQUOUENY-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds3

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

[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 56783964) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID56783964
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FNO3/c1-12-16(8-11-23-12)18(22)20-9-6-14(7-10-20)17(21)13-2-4-15(19)5-3-13/h2-5,8,11,14,17,21H,6-7,9-10H2,1H3
InChIKeyDTEXMTIQUOUENY-UHFFFAOYSA-N
XLogP3.31
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 56783964) is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is DTEXMTIQUOUENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-16(8-11-23-12)18(22)20-9-6-14(7-10-20)17(21)13-2-4-15(19)5-3-13/h2-5,8,11,14,17,21H,6-7,9-10H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 317.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 56783964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).