1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol

C15H21ClFNO — CID 114426131

IUPAC1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
SMILESCCC1CCNC(CC(O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H21ClFNO/c1-2-10-5-6-18-12(7-10)9-15(19)11-3-4-14(17)13(16)8-11/h3-4,8,10,12,15,18-19H,2,5-7,9H2,1H3
InChIKeyIUHXRBAHDAVGJC-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol

1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol (PubChem CID 114426131) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
PubChem CID114426131
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
SMILESCCC1CCNC(CC(O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H21ClFNO/c1-2-10-5-6-18-12(7-10)9-15(19)11-3-4-14(17)13(16)8-11/h3-4,8,10,12,15,18-19H,2,5-7,9H2,1H3
InChIKeyIUHXRBAHDAVGJC-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426133
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol
CID 114426128
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685744
1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685626
(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 114852894
2-[2-(2,5-dichlorophenyl)ethyl]-4-ethylpiperidine
CID 114426169
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-chloro-4-fluorophenyl)methanol
CID 81157099
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
1-(3-chloro-4-fluorophenyl)nonan-1-ol
CID 63414052
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol (CID 114426131) is 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol is CCC1CCNC(CC(O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The InChIKey is IUHXRBAHDAVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-10-5-6-18-12(7-10)9-15(19)11-3-4-14(17)13(16)8-11/h3-4,8,10,12,15,18-19H,2,5-7,9H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol has a molecular weight of 285.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol is sourced from PubChem (CID 114426131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).