N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine

C14H21FN2O — CID 54967542

IUPACN-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
SMILESCCNC1CCN(c2ccc(F)cc2OC)CC1
InChIInChI=1S/C14H21FN2O/c1-3-16-12-6-8-17(9-7-12)13-5-4-11(15)10-14(13)18-2/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyBCEVEMVGYORKHC-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine

N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine (PubChem CID 54967542) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
PubChem CID54967542
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
SMILESCCNC1CCN(c2ccc(F)cc2OC)CC1
InChIInChI=1S/C14H21FN2O/c1-3-16-12-6-8-17(9-7-12)13-5-4-11(15)10-14(13)18-2/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyBCEVEMVGYORKHC-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
CID 54967543
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
CID 79766663
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
8-(4-fluoro-2-methoxyphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740557
1-(2,4-dibromo-5-methoxyphenyl)-N-ethylpyrrolidin-3-amine
CID 103414484

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine (CID 54967542) is N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine is CCNC1CCN(c2ccc(F)cc2OC)CC1.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine?
The InChIKey is BCEVEMVGYORKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-16-12-6-8-17(9-7-12)13-5-4-11(15)10-14(13)18-2/h4-5,10,12,16H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine?
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine has a molecular weight of 252.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 54967542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).