N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine

C14H19F3N2 — CID 83993084

IUPACN-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(F)F)CN(c2ccc(F)cc2)C1
InChIInChI=1S/C14H19F3N2/c1-10-6-12(18-7-14(16)17)9-19(8-10)13-4-2-11(15)3-5-13/h2-5,10,12,14,18H,6-9H2,1H3
InChIKeyCNFFOLKFTAKRLE-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.90
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine

N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine (PubChem CID 83993084) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
PubChem CID83993084
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(F)F)CN(c2ccc(F)cc2)C1
InChIInChI=1S/C14H19F3N2/c1-10-6-12(18-7-14(16)17)9-19(8-10)13-4-2-11(15)3-5-13/h2-5,10,12,14,18H,6-9H2,1H3
InChIKeyCNFFOLKFTAKRLE-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83993074
N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542322
N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83993088
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
CID 83993383
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
1-(2,4-difluorophenyl)-N-ethyl-5-methylpiperidin-3-amine
CID 83990463
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine (CID 83993084) is N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine is CC1CC(NCC(F)F)CN(c2ccc(F)cc2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine?
The InChIKey is CNFFOLKFTAKRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-6-12(18-7-14(16)17)9-19(8-10)13-4-2-11(15)3-5-13/h2-5,10,12,14,18H,6-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine?
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83993084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).