3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine

C12H13F5N2 — CID 79868650

IUPAC3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine
SMILESCC1CN(c2c(F)c(F)c(F)c(F)c2F)CCC1N
InChIInChI=1S/C12H13F5N2/c1-5-4-19(3-2-6(5)18)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H,2-4,18H2,1H3
InChIKeyMTNPFTLSUCPQJH-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.56
Rot. Bonds1

About 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine

3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine (PubChem CID 79868650) has the molecular formula C12H13F5N2 and a molecular weight of 280.24 g/mol. Its IUPAC name is 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine
PubChem CID79868650
Molecular FormulaC12H13F5N2
Molecular Weight280.24 g/mol
Exact Mass280.10
IUPAC Name3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine
SMILESCC1CN(c2c(F)c(F)c(F)c(F)c2F)CCC1N
InChIInChI=1S/C12H13F5N2/c1-5-4-19(3-2-6(5)18)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H,2-4,18H2,1H3
InChIKeyMTNPFTLSUCPQJH-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine (CID 79868650) is 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine is CC1CN(c2c(F)c(F)c(F)c(F)c2F)CCC1N.
What is the InChIKey of 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine?
The InChIKey is MTNPFTLSUCPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2/c1-5-4-19(3-2-6(5)18)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H,2-4,18H2,1H3.
What are the key properties of 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine?
3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine has a molecular weight of 280.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine is sourced from PubChem (CID 79868650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).