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

C19H31FN2O3 — CID 22390871

IUPACN-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCCN1CCC(CCOc2ccc(F)cc2)CC1)OC
InChIInChI=1S/C19H31FN2O3/c1-23-19(24-2)15-21-10-13-22-11-7-16(8-12-22)9-14-25-18-5-3-17(20)4-6-18/h3-6,16,19,21H,7-15H2,1-2H3
InChIKeyUSMLJDJEFYPAFR-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.52
Rot. Bonds11

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

N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine (PubChem CID 22390871) has the molecular formula C19H31FN2O3 and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine
PubChem CID22390871
Molecular FormulaC19H31FN2O3
Molecular Weight354.47 g/mol
Exact Mass354.23
IUPAC NameN-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCCN1CCC(CCOc2ccc(F)cc2)CC1)OC
InChIInChI=1S/C19H31FN2O3/c1-23-19(24-2)15-21-10-13-22-11-7-16(8-12-22)9-14-25-18-5-3-17(20)4-6-18/h3-6,16,19,21H,7-15H2,1-2H3
InChIKeyUSMLJDJEFYPAFR-UHFFFAOYSA-N
XLogP2.52
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine (CID 22390871) is N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine is COC(CNCCN1CCC(CCOc2ccc(F)cc2)CC1)OC.
What is the InChIKey of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine?
The InChIKey is USMLJDJEFYPAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O3/c1-23-19(24-2)15-21-10-13-22-11-7-16(8-12-22)9-14-25-18-5-3-17(20)4-6-18/h3-6,16,19,21H,7-15H2,1-2H3.
What are the key properties of N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine?
N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine has a molecular weight of 354.47 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]ethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 22390871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).