1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone

C15H21BrN2O — CID 43426728

IUPAC1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-11(13-4-3-5-14(16)10-13)17-15-6-8-18(9-7-15)12(2)19/h3-5,10-11,15,17H,6-9H2,1-2H3
InChIKeyAPNUJRGYNTZLIY-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.11
Rot. Bonds3

About 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone

1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43426728) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43426728
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-11(13-4-3-5-14(16)10-13)17-15-6-8-18(9-7-15)12(2)19/h3-5,10-11,15,17H,6-9H2,1-2H3
InChIKeyAPNUJRGYNTZLIY-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81381712
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1R)-1-(3-bromophenyl)ethyl]-1-oxothian-4-amine
CID 81381561
N-[(1R)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81381818
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210641
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone (CID 43426728) is 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is APNUJRGYNTZLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(13-4-3-5-14(16)10-13)17-15-6-8-18(9-7-15)12(2)19/h3-5,10-11,15,17H,6-9H2,1-2H3.
What are the key properties of 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 325.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43426728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).