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

C15H19ClFNO2 — CID 53150855

IUPAC(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9H2,1H3
InChIKeyWKJFPSADQJTRQI-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.37
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150855) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150855
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9H2,1H3
InChIKeyWKJFPSADQJTRQI-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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Related Compounds

(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 113415072
(5-chloro-2-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 82884011
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
3-[1-(5-chloro-2-methylbenzoyl)piperidin-4-yl]propanoic acid
CID 82877917

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150855) is (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is WKJFPSADQJTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-9-6-11-4-7-18(8-5-11)15(19)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
(5-chloro-2-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 (5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).