[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone

C13H13F5N2O — CID 62536372

IUPAC[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESCNC1CCCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C13H13F5N2O/c1-19-6-3-2-4-20(5-6)13(21)7-8(14)10(16)12(18)11(17)9(7)15/h6,19H,2-5H2,1H3
InChIKeyTZJLZMYWOUFJIW-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.21
Rot. Bonds2

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

[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 62536372) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID62536372
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESCNC1CCCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C13H13F5N2O/c1-19-6-3-2-4-20(5-6)13(21)7-8(14)10(16)12(18)11(17)9(7)15/h6,19H,2-5H2,1H3
InChIKeyTZJLZMYWOUFJIW-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.21
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

(4-bromo-2,6-difluorophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124517167
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(2-fluoro-6-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119494037
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
[3-(bromomethyl)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 80659023
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491020
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone (CID 62536372) is [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone is CNC1CCCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is TZJLZMYWOUFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c1-19-6-3-2-4-20(5-6)13(21)7-8(14)10(16)12(18)11(17)9(7)15/h6,19H,2-5H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 308.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 62536372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).