[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone

C13H19BrN2O2 — CID 106855238

IUPAC[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
SMILESCCC1CCN(C(=O)c2ccoc2Br)C(CN)C1
InChIInChI=1S/C13H19BrN2O2/c1-2-9-3-5-16(10(7-9)8-15)13(17)11-4-6-18-12(11)14/h4,6,9-10H,2-3,5,7-8,15H2,1H3
InChIKeyMPPNSUCQCWWYJX-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.63
Rot. Bonds3

About [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone (PubChem CID 106855238) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
PubChem CID106855238
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone
SMILESCCC1CCN(C(=O)c2ccoc2Br)C(CN)C1
InChIInChI=1S/C13H19BrN2O2/c1-2-9-3-5-16(10(7-9)8-15)13(17)11-4-6-18-12(11)14/h4,6,9-10H,2-3,5,7-8,15H2,1H3
InChIKeyMPPNSUCQCWWYJX-UHFFFAOYSA-N
XLogP2.63
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855210
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107963758
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 103352292
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956337
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-bromo-2-fluorophenyl)methanone
CID 103352234
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
CID 103352294
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone (CID 106855238) is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone is CCC1CCN(C(=O)c2ccoc2Br)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
The InChIKey is MPPNSUCQCWWYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-9-3-5-16(10(7-9)8-15)13(17)11-4-6-18-12(11)14/h4,6,9-10H,2-3,5,7-8,15H2,1H3.
What are the key properties of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone?
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone has a molecular weight of 315.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromofuran-3-yl)methanone is sourced from PubChem (CID 106855238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).