[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol

C14H19ClFNO2 — CID 111463147

IUPAC[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCOc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFNO2/c15-13-8-12(16)3-4-14(13)19-7-6-17-5-1-2-11(9-17)10-18/h3-4,8,11,18H,1-2,5-7,9-10H2
InChIKeyXLDRYCYVBGMVMG-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.56
Rot. Bonds5

About [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol

[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol (PubChem CID 111463147) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
PubChem CID111463147
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCOc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFNO2/c15-13-8-12(16)3-4-14(13)19-7-6-17-5-1-2-11(9-17)10-18/h3-4,8,11,18H,1-2,5-7,9-10H2
InChIKeyXLDRYCYVBGMVMG-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
3-[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 126771219
1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39382567
2-[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966702
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966865
[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 120966941
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
3-(2-chloro-4-fluorophenoxy)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]propan-1-one
CID 55774343
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol (CID 111463147) is [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol is OCC1CCCN(CCOc2ccc(F)cc2Cl)C1.
What is the InChIKey of [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol?
The InChIKey is XLDRYCYVBGMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c15-13-8-12(16)3-4-14(13)19-7-6-17-5-1-2-11(9-17)10-18/h3-4,8,11,18H,1-2,5-7,9-10H2.
What are the key properties of [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol?
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol has a molecular weight of 287.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 111463147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).