1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine

C14H20F2N2 — CID 83990463

IUPAC1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine
SMILESCCNC1CC(C)CN(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-3-17-12-6-10(2)8-18(9-12)14-5-4-11(15)7-13(14)16/h4-5,7,10,12,17H,3,6,8-9H2,1-2H3
InChIKeyQDODNYQLTAZPEA-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine

1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine (PubChem CID 83990463) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine
PubChem CID83990463
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine
SMILESCCNC1CC(C)CN(c2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2/c1-3-17-12-6-10(2)8-18(9-12)14-5-4-11(15)7-13(14)16/h4-5,7,10,12,17H,3,6,8-9H2,1-2H3
InChIKeyQDODNYQLTAZPEA-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83991736
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
N-ethyl-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83990440
N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
CID 54967543
N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542336
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
3-(bromomethyl)-1-(2,4-difluorophenyl)azetidine
CID 171417189
N-[[2-(3,5-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313806
tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
CID 112544579
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-(cyclobutylmethyl)-1-(2,3-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997260
[4-(2,4-difluorophenyl)-6-methylmorpholin-2-yl]methanamine
CID 82293325

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine (CID 83990463) is 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine is CCNC1CC(C)CN(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine?
The InChIKey is QDODNYQLTAZPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-3-17-12-6-10(2)8-18(9-12)14-5-4-11(15)7-13(14)16/h4-5,7,10,12,17H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine?
1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 83990463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).