(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride

C12H16BrClN2O — CID 119377080

IUPAC(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O.ClH/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(14)8-15;/h1,3-4,7,11H,2,5-6,8,14H2;1H
InChIKeyLYQODMWLROTEJR-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.43
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride (PubChem CID 119377080) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
PubChem CID119377080
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O.ClH/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(14)8-15;/h1,3-4,7,11H,2,5-6,8,14H2;1H
InChIKeyLYQODMWLROTEJR-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
CID 119381238
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-bromophenyl)methanone
CID 49224623
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride (CID 119377080) is (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2cccc(Br)c2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride?
The InChIKey is LYQODMWLROTEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O.ClH/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(14)8-15;/h1,3-4,7,11H,2,5-6,8,14H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride has a molecular weight of 319.63 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride is sourced from PubChem (CID 119377080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).