(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

C15H20BrFN2O — CID 63156469

IUPAC(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(N)c(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-3-15(2)4-6-19(7-5-15)14(20)10-8-13(18)12(17)9-11(10)16/h8-9H,3-7,18H2,1-2H3
InChIKeyPYUMWNHARIUGGH-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.82
Rot. Bonds2

About (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63156469) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63156469
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(N)c(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-3-15(2)4-6-19(7-5-15)14(20)10-8-13(18)12(17)9-11(10)16/h8-9H,3-7,18H2,1-2H3
InChIKeyPYUMWNHARIUGGH-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-bromo-4-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096176
(5-amino-2-bromo-4-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 62831061
methyl 4-(5-amino-2-bromo-4-fluorobenzoyl)piperazine-1-carboxylate
CID 62816131
(2-bromo-5-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 81109492
(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156628
(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 62612905
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
(5-amino-2-bromo-4-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210164
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161789
6-azaspiro[2.5]octan-6-yl-(2-bromo-5-fluoro-4-methylphenyl)methanone
CID 172913990
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
(5-amino-2-bromo-4-fluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168386

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63156469) is (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)c2cc(N)c(F)cc2Br)CC1.
What is the InChIKey of (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is PYUMWNHARIUGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-3-15(2)4-6-19(7-5-15)14(20)10-8-13(18)12(17)9-11(10)16/h8-9H,3-7,18H2,1-2H3.
What are the key properties of (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 343.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63156469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).