1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one

C15H21BrN2O2 — CID 119466311

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one
SMILESNCC1CCCCN1C(=O)CCOc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c16-13-6-1-2-7-14(13)20-10-8-15(19)18-9-4-3-5-12(18)11-17/h1-2,6-7,12H,3-5,8-11,17H2
InChIKeyXUBXRVMXQSCRBE-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.56
Rot. Bonds5

About 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one

1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one (PubChem CID 119466311) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one
PubChem CID119466311
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one
SMILESNCC1CCCCN1C(=O)CCOc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c16-13-6-1-2-7-14(13)20-10-8-15(19)18-9-4-3-5-12(18)11-17/h1-2,6-7,12H,3-5,8-11,17H2
InChIKeyXUBXRVMXQSCRBE-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119467095
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119631870
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-bromophenyl)propan-1-one;hydrochloride
CID 119633834
1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
CID 119372982
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119466873
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
3-amino-N-[[1-[3-(2-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120580345
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 124696648
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one (CID 119466311) is 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one is NCC1CCCCN1C(=O)CCOc1ccccc1Br.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one?
The InChIKey is XUBXRVMXQSCRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-13-6-1-2-7-14(13)20-10-8-15(19)18-9-4-3-5-12(18)11-17/h1-2,6-7,12H,3-5,8-11,17H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one is sourced from PubChem (CID 119466311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).