2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine

C17H27FN2O — CID 19085444

IUPAC2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2O/c1-19(2)10-7-15-8-11-20(12-9-15)13-14-21-17-5-3-16(18)4-6-17/h3-6,15H,7-14H2,1-2H3
InChIKeyUXKXMTSROMWJQU-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.87
Rot. Bonds7

About 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine

2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 19085444) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
PubChem CID19085444
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2O/c1-19(2)10-7-15-8-11-20(12-9-15)13-14-21-17-5-3-16(18)4-6-17/h3-6,15H,7-14H2,1-2H3
InChIKeyUXKXMTSROMWJQU-UHFFFAOYSA-N
XLogP2.87
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 19085451
4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethoxy]benzonitrile
CID 60543115
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine (CID 19085444) is 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine is CN(C)CCC1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is UXKXMTSROMWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-19(2)10-7-15-8-11-20(12-9-15)13-14-21-17-5-3-16(18)4-6-17/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine?
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 294.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 19085444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).