(3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C18H25FN2O2 — CID 91916428

IUPAC(3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCN1CCC(OC2CCN(C(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-20-9-5-16(6-10-20)23-17-7-11-21(12-8-17)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3
InChIKeyBKXKDQZPDPDBGJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.54
Rot. Bonds3

About (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916428) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916428
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCN1CCC(OC2CCN(C(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C18H25FN2O2/c1-20-9-5-16(6-10-20)23-17-7-11-21(12-8-17)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3
InChIKeyBKXKDQZPDPDBGJ-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916428) is (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is CN1CCC(OC2CCN(C(=O)c3cccc(F)c3)CC2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is BKXKDQZPDPDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-20-9-5-16(6-10-20)23-17-7-11-21(12-8-17)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).