(3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C15H19ClFNO2 — CID 53150853

IUPAC(3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)12-2-3-14(17)13(16)10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyKRVIXIQCSCXGHL-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.37
Rot. Bonds4

About (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150853) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150853
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name(3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)12-2-3-14(17)13(16)10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyKRVIXIQCSCXGHL-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150853) is (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is KRVIXIQCSCXGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)12-2-3-14(17)13(16)10-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 299.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).