[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride

C13H17BrCl2N2O — CID 119465115

IUPAC[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C13H16BrClN2O.ClH/c14-10-3-4-11(12(15)6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H
InChIKeyFUJGSULNMNCTMT-UHFFFAOYSA-N
MW368.10 g/mol
LogP3.34
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride (PubChem CID 119465115) has the molecular formula C13H17BrCl2N2O and a molecular weight of 368.10 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
PubChem CID119465115
Molecular FormulaC13H17BrCl2N2O
Molecular Weight368.10 g/mol
Exact Mass365.99
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C13H16BrClN2O.ClH/c14-10-3-4-11(12(15)6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H
InChIKeyFUJGSULNMNCTMT-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(4-bromo-2-chlorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80669190
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride (CID 119465115) is [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride is Cl.NCC1CCCN(C(=O)c2ccc(Br)cc2Cl)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride?
The InChIKey is FUJGSULNMNCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O.ClH/c14-10-3-4-11(12(15)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]-(4-bromo-2-chlorophenyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride has a molecular weight of 368.10 g/mol, XLogP of 3.34, 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]-(4-bromo-2-chlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119465115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).