[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride

C13H17BrClFN2O — CID 119464932

IUPAC[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C13H16BrFN2O.ClH/c14-10-3-4-12(15)11(6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H
InChIKeyZFOGKQFCPOHZFG-UHFFFAOYSA-N
MW351.65 g/mol
LogP2.82
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride (PubChem CID 119464932) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
PubChem CID119464932
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C13H16BrFN2O.ClH/c14-10-3-4-12(15)11(6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H
InChIKeyZFOGKQFCPOHZFG-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701232
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-5-hydroxyphenyl)methanone
CID 125447813
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride (CID 119464932) is [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride is Cl.NCC1CCCN(C(=O)c2cc(Br)ccc2F)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride?
The InChIKey is ZFOGKQFCPOHZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c14-10-3-4-12(15)11(6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119464932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).