N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine

C14H18F4N2 — CID 107644985

IUPACN-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
SMILESCCNC1CCN(c2c(F)c(F)cc(F)c2F)CC1C
InChIInChI=1S/C14H18F4N2/c1-3-19-11-4-5-20(7-8(11)2)14-12(17)9(15)6-10(16)13(14)18/h6,8,11,19H,3-5,7H2,1-2H3
InChIKeyWKTLKRYFFFFWTN-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.07
Rot. Bonds3

About N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine

N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine (PubChem CID 107644985) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
PubChem CID107644985
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC NameN-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
SMILESCCNC1CCN(c2c(F)c(F)cc(F)c2F)CC1C
InChIInChI=1S/C14H18F4N2/c1-3-19-11-4-5-20(7-8(11)2)14-12(17)9(15)6-10(16)13(14)18/h6,8,11,19H,3-5,7H2,1-2H3
InChIKeyWKTLKRYFFFFWTN-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine (CID 107644985) is N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine is CCNC1CCN(c2c(F)c(F)cc(F)c2F)CC1C.
What is the InChIKey of N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
The InChIKey is WKTLKRYFFFFWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-3-19-11-4-5-20(7-8(11)2)14-12(17)9(15)6-10(16)13(14)18/h6,8,11,19H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine?
N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine has a molecular weight of 290.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine is sourced from PubChem (CID 107644985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).