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

C15H22F2N2O — CID 83993074

IUPACN-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
SMILESCOc1cccc(N2CC(C)CC(NCC(F)F)C2)c1
InChIInChI=1S/C15H22F2N2O/c1-11-6-12(18-8-15(16)17)10-19(9-11)13-4-3-5-14(7-13)20-2/h3-5,7,11-12,15,18H,6,8-10H2,1-2H3
InChIKeyKXGUMJMLCIYJSV-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.76
Rot. Bonds5

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

N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine (PubChem CID 83993074) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
PubChem CID83993074
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
SMILESCOc1cccc(N2CC(C)CC(NCC(F)F)C2)c1
InChIInChI=1S/C15H22F2N2O/c1-11-6-12(18-8-15(16)17)10-19(9-11)13-4-3-5-14(7-13)20-2/h3-5,7,11-12,15,18H,6,8-10H2,1-2H3
InChIKeyKXGUMJMLCIYJSV-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83990440
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83998607
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83993088
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84778504
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-cyclopropyl-5-methyl-1-(3-methylphenyl)piperidin-3-amine
CID 83991728
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine (CID 83993074) is N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine is COc1cccc(N2CC(C)CC(NCC(F)F)C2)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The InChIKey is KXGUMJMLCIYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11-6-12(18-8-15(16)17)10-19(9-11)13-4-3-5-14(7-13)20-2/h3-5,7,11-12,15,18H,6,8-10H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine has a molecular weight of 284.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83993074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).