2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone

C15H21BrN2O — CID 60674178

IUPAC2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
SMILESCC(NCC(=O)N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-12(13-5-7-14(16)8-6-13)17-11-15(19)18-9-3-2-4-10-18/h5-8,12,17H,2-4,9-11H2,1H3
InChIKeyCYHMLJRRPOISTG-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone

2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone (PubChem CID 60674178) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
PubChem CID60674178
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
SMILESCC(NCC(=O)N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-12(13-5-7-14(16)8-6-13)17-11-15(19)18-9-3-2-4-10-18/h5-8,12,17H,2-4,9-11H2,1H3
InChIKeyCYHMLJRRPOISTG-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60694356
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone (CID 60674178) is 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone is CC(NCC(=O)N1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone?
The InChIKey is CYHMLJRRPOISTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12(13-5-7-14(16)8-6-13)17-11-15(19)18-9-3-2-4-10-18/h5-8,12,17H,2-4,9-11H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone?
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone has a molecular weight of 325.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 60674178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).