1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol

C13H16ClF2NO — CID 157039084

IUPAC1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2c(F)ccc(Cl)c2F)CC1
InChIInChI=1S/C13H16ClF2NO/c14-11-1-2-12(15)10(13(11)16)5-8-17-6-3-9(18)4-7-17/h1-2,9,18H,3-8H2
InChIKeyUOXBSNCQQIRIEC-UHFFFAOYSA-N
MW275.73 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol

1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol (PubChem CID 157039084) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol
PubChem CID157039084
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2c(F)ccc(Cl)c2F)CC1
InChIInChI=1S/C13H16ClF2NO/c14-11-1-2-12(15)10(13(11)16)5-8-17-6-3-9(18)4-7-17/h1-2,9,18H,3-8H2
InChIKeyUOXBSNCQQIRIEC-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R,5S)-1-[2-(3-chloro-2,6-difluorophenyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039582
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
(3R,5S)-1-[2-(3-chloro-2,6-difluorophenyl)ethyl]-3,4,5-tris(phenylmethoxy)piperidine
CID 175865927
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 86854125
1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-ol
CID 157039249
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol (CID 157039084) is 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol is OC1CCN(CCc2c(F)ccc(Cl)c2F)CC1.
What is the InChIKey of 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol?
The InChIKey is UOXBSNCQQIRIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c14-11-1-2-12(15)10(13(11)16)5-8-17-6-3-9(18)4-7-17/h1-2,9,18H,3-8H2.
What are the key properties of 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol?
1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol has a molecular weight of 275.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2,6-difluorophenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 157039084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).