(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride

C12H15BrCl2N2O — CID 119380739

IUPAC(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C12H14BrClN2O.ClH/c13-8-3-4-11(14)10(6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyRZNSRPYZHFWUQQ-UHFFFAOYSA-N
MW354.08 g/mol
LogP3.09
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride (PubChem CID 119380739) has the molecular formula C12H15BrCl2N2O and a molecular weight of 354.08 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
PubChem CID119380739
Molecular FormulaC12H15BrCl2N2O
Molecular Weight354.08 g/mol
Exact Mass351.97
IUPAC Name(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C12H14BrClN2O.ClH/c13-8-3-4-11(14)10(6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyRZNSRPYZHFWUQQ-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.08
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241236
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride (CID 119380739) is (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride?
The InChIKey is RZNSRPYZHFWUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O.ClH/c13-8-3-4-11(14)10(6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride has a molecular weight of 354.08 g/mol, XLogP of 3.09, 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)-(5-bromo-2-chlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119380739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).