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

C12H13F5N2 — CID 43556413

IUPAC1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C12H13F5N2/c13-8-7(5-19-3-1-6(18)2-4-19)9(14)11(16)12(17)10(8)15/h6H,1-5,18H2
InChIKeyWEWCRCHLJQODHI-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.31
Rot. Bonds2

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

1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine (PubChem CID 43556413) has the molecular formula C12H13F5N2 and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
PubChem CID43556413
Molecular FormulaC12H13F5N2
Molecular Weight280.24 g/mol
Exact Mass280.10
IUPAC Name1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C12H13F5N2/c13-8-7(5-19-3-1-6(18)2-4-19)9(14)11(16)12(17)10(8)15/h6H,1-5,18H2
InChIKeyWEWCRCHLJQODHI-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.31
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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Related Compounds

1-Benzyl-4-piperidylamine
CID 415852
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 781972
1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 4962677
N-[(3-fluorophenyl)methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
CID 137638223
1-benzyl-N-[(2,4-difluorophenyl)methyl]piperidin-4-amine
CID 155516698
1-(2,5-Difluorobenzyl)piperazine
CID 2783353
1-[(3,4-Difluorophenyl)methyl]piperidin-4-amine
CID 18002139
1-((4-Fluorophenyl)methyl)piperidin-4-amine
CID 15132433
1-(2-Fluorobenzyl)piperidin-3-amine
CID 24904424
Cambridge id 5419194
CID 782297
1-[(3-Fluorophenyl)methyl]piperidin-4-amine
CID 3163329

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine (CID 43556413) is 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine is NC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine?
The InChIKey is WEWCRCHLJQODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2/c13-8-7(5-19-3-1-6(18)2-4-19)9(14)11(16)12(17)10(8)15/h6H,1-5,18H2.
What are the key properties of 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine?
1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine has a molecular weight of 280.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 43556413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).