[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone

C14H18Br2N2O — CID 114960521

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
SMILESCC1CCN(C(=O)c2cc(Br)ccc2Br)CC1CN
InChIInChI=1S/C14H18Br2N2O/c1-9-4-5-18(8-10(9)7-17)14(19)12-6-11(15)2-3-13(12)16/h2-3,6,9-10H,4-5,7-8,17H2,1H3
InChIKeyFRQJYZJHQALINV-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.27
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone (PubChem CID 114960521) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
PubChem CID114960521
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
SMILESCC1CCN(C(=O)c2cc(Br)ccc2Br)CC1CN
InChIInChI=1S/C14H18Br2N2O/c1-9-4-5-18(8-10(9)7-17)14(19)12-6-11(15)2-3-13(12)16/h2-3,6,9-10H,4-5,7-8,17H2,1H3
InChIKeyFRQJYZJHQALINV-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-5-nitrophenyl)methanone
CID 114960224
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 114960337
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
(2,5-dibromophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114372546
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237331

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone (CID 114960521) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone is CC1CCN(C(=O)c2cc(Br)ccc2Br)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone?
The InChIKey is FRQJYZJHQALINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-9-4-5-18(8-10(9)7-17)14(19)12-6-11(15)2-3-13(12)16/h2-3,6,9-10H,4-5,7-8,17H2,1H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone has a molecular weight of 390.12 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone is sourced from PubChem (CID 114960521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).