2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol

C14H19ClFNO2 — CID 114858092

IUPAC2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFNO2/c15-12-2-1-11(14(16)9-12)10-17-5-3-13(4-6-17)19-8-7-18/h1-2,9,13,18H,3-8,10H2
InChIKeyQDWCSVKRZYBOAY-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 114858092) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
PubChem CID114858092
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFNO2/c15-12-2-1-11(14(16)9-12)10-17-5-3-13(4-6-17)19-8-7-18/h1-2,9,13,18H,3-8,10H2
InChIKeyQDWCSVKRZYBOAY-UHFFFAOYSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
4-(2-bromoethoxy)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
CID 103050043
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
3-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 66157692
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 79736873
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol (CID 114858092) is 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol is OCCOC1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is QDWCSVKRZYBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c15-12-2-1-11(14(16)9-12)10-17-5-3-13(4-6-17)19-8-7-18/h1-2,9,13,18H,3-8,10H2.
What are the key properties of 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 287.76 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 114858092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).