2-[1-(3,4-difluorophenoxy)ethyl]piperidine

C13H17F2NO — CID 117051161

IUPAC2-[1-(3,4-difluorophenoxy)ethyl]piperidine
SMILESCC(Oc1ccc(F)c(F)c1)C1CCCCN1
InChIInChI=1S/C13H17F2NO/c1-9(13-4-2-3-7-16-13)17-10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyDVQSURNFAKIXQQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(3,4-difluorophenoxy)ethyl]piperidine

2-[1-(3,4-difluorophenoxy)ethyl]piperidine (PubChem CID 117051161) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenoxy)ethyl]piperidine
PubChem CID117051161
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[1-(3,4-difluorophenoxy)ethyl]piperidine
SMILESCC(Oc1ccc(F)c(F)c1)C1CCCCN1
InChIInChI=1S/C13H17F2NO/c1-9(13-4-2-3-7-16-13)17-10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyDVQSURNFAKIXQQ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
CID 91008575
3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide
CID 43523505
5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid
CID 117096075
4-piperazin-1-yl-7-(1-piperidin-2-ylethoxy)quinazoline
CID 68614201
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 23440862
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
CID 119319070
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenoxy)ethyl]piperidine?
The IUPAC name of 2-[1-(3,4-difluorophenoxy)ethyl]piperidine (CID 117051161) is 2-[1-(3,4-difluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[1-(3,4-difluorophenoxy)ethyl]piperidine?
The canonical SMILES for 2-[1-(3,4-difluorophenoxy)ethyl]piperidine is CC(Oc1ccc(F)c(F)c1)C1CCCCN1.
What is the InChIKey of 2-[1-(3,4-difluorophenoxy)ethyl]piperidine?
The InChIKey is DVQSURNFAKIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(13-4-2-3-7-16-13)17-10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of 2-[1-(3,4-difluorophenoxy)ethyl]piperidine?
2-[1-(3,4-difluorophenoxy)ethyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 117051161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).