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

C14H17F5N2 — CID 114961207

IUPAC[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
SMILESCC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1CN
InChIInChI=1S/C14H17F5N2/c1-7-2-3-21(5-8(7)4-20)6-9-10(15)12(17)14(19)13(18)11(9)16/h7-8H,2-6,20H2,1H3
InChIKeyFNZDKVHOXZSWEG-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.80
Rot. Bonds3

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

[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 114961207) has the molecular formula C14H17F5N2 and a molecular weight of 308.29 g/mol. Its IUPAC name is [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
PubChem CID114961207
Molecular FormulaC14H17F5N2
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC Name[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
SMILESCC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1CN
InChIInChI=1S/C14H17F5N2/c1-7-2-3-21(5-8(7)4-20)6-9-10(15)12(17)14(19)13(18)11(9)16/h7-8H,2-6,20H2,1H3
InChIKeyFNZDKVHOXZSWEG-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.80
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 [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine (CID 114961207) is [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine is CC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1CN.
What is the InChIKey of [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is FNZDKVHOXZSWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2/c1-7-2-3-21(5-8(7)4-20)6-9-10(15)12(17)14(19)13(18)11(9)16/h7-8H,2-6,20H2,1H3.
What are the key properties of [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine?
[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 308.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114961207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).