[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone

C13H16Br2N2O — CID 107939826

IUPAC[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
SMILESNCC1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C13H16Br2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-5-3-9(8-16)4-6-17/h1-2,7,9H,3-6,8,16H2
InChIKeyXGNXRJZAMDCWJI-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.02
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone

[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone (PubChem CID 107939826) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
PubChem CID107939826
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
SMILESNCC1CCN(C(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C13H16Br2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-5-3-9(8-16)4-6-17/h1-2,7,9H,3-6,8,16H2
InChIKeyXGNXRJZAMDCWJI-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-chloroethyl)pyrrolidin-1-yl]-(2,4-dibromophenyl)methanone
CID 114018695
(2,4-dibromophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 113345204
1-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
N-[1-(2,4-dibromobenzoyl)piperidin-4-yl]propanamide
CID 103882520
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
4-(2,4-dibromobenzoyl)piperazine-1-sulfonamide
CID 103882891
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
(3-bromopiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941058
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 60954864

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone (CID 107939826) is [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone is NCC1CCN(C(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone?
The InChIKey is XGNXRJZAMDCWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c14-10-1-2-11(12(15)7-10)13(18)17-5-3-9(8-16)4-6-17/h1-2,7,9H,3-6,8,16H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone has a molecular weight of 376.09 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107939826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).