1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol

C14H19ClFNO — CID 116685744

IUPAC1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCC1CCCC(CC(O)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C14H19ClFNO/c1-9-3-2-4-11(17-9)8-14(18)10-5-6-13(16)12(15)7-10/h5-7,9,11,14,17-18H,2-4,8H2,1H3
InChIKeyUDDJWXOGIUIQPX-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol

1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol (PubChem CID 116685744) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
PubChem CID116685744
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCC1CCCC(CC(O)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C14H19ClFNO/c1-9-3-2-4-11(17-9)8-14(18)10-5-6-13(16)12(15)7-10/h5-7,9,11,14,17-18H,2-4,8H2,1H3
InChIKeyUDDJWXOGIUIQPX-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685555
1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685604
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685194
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
3-(3-chloro-4-fluorophenyl)-3-hydroxypropanal
CID 114795328
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
CID 95011857
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
(2S)-1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]piperidin-2-yl]butan-2-ol
CID 162974675
1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol (CID 116685744) is 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol is CC1CCCC(CC(O)c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The InChIKey is UDDJWXOGIUIQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9-3-2-4-11(17-9)8-14(18)10-5-6-13(16)12(15)7-10/h5-7,9,11,14,17-18H,2-4,8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol has a molecular weight of 271.76 g/mol, XLogP of 3.43, 3 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-(6-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).