[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride

C15H20BrClN4O — CID 119595202

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)C1.Cl
InChIInChI=1S/C15H19BrN4O.ClH/c1-9(17)10-3-2-6-20(8-10)15(21)14-12-7-11(16)4-5-13(12)18-19-14;/h4-5,7,9-10H,2-3,6,8,17H2,1H3,(H,18,19);1H
InChIKeyLEGFHWXUQYPOPQ-UHFFFAOYSA-N
MW387.71 g/mol
LogP2.95
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride (PubChem CID 119595202) has the molecular formula C15H20BrClN4O and a molecular weight of 387.71 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
PubChem CID119595202
Molecular FormulaC15H20BrClN4O
Molecular Weight387.71 g/mol
Exact Mass386.05
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)C1.Cl
InChIInChI=1S/C15H19BrN4O.ClH/c1-9(17)10-3-2-6-20(8-10)15(21)14-12-7-11(16)4-5-13(12)18-19-14;/h4-5,7,9-10H,2-3,6,8,17H2,1H3,(H,18,19);1H
InChIKeyLEGFHWXUQYPOPQ-UHFFFAOYSA-N
XLogP2.95
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
[3-(1-aminoethyl)piperidin-1-yl]-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119595333
[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807105
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
[3-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-propan-2-yloxyphenyl)methanone
CID 119593508
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118304
(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646742
[3-(1-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112375
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125135480
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride (CID 119595202) is [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride is CC(N)C1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride?
The InChIKey is LEGFHWXUQYPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O.ClH/c1-9(17)10-3-2-6-20(8-10)15(21)14-12-7-11(16)4-5-13(12)18-19-14;/h4-5,7,9-10H,2-3,6,8,17H2,1H3,(H,18,19);1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride has a molecular weight of 387.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119595202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).