(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone

C14H17ClFNO2 — CID 61150797

IUPAC(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO2/c1-2-19-11-5-7-17(8-6-11)14(18)12-9-10(15)3-4-13(12)16/h3-4,9,11H,2,5-8H2,1H3
InChIKeyONYASBPOKZXAID-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.12
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 61150797) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID61150797
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO2/c1-2-19-11-5-7-17(8-6-11)14(18)12-9-10(15)3-4-13(12)16/h3-4,9,11H,2,5-8H2,1H3
InChIKeyONYASBPOKZXAID-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone (CID 61150797) is (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is ONYASBPOKZXAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-2-19-11-5-7-17(8-6-11)14(18)12-9-10(15)3-4-13(12)16/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 285.75 g/mol, XLogP of 3.12, 3 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-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61150797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).