[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone

C17H23BrN2O — CID 43747865

IUPAC[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN2O/c1-12(13-4-6-15(18)7-5-13)19-16-8-10-20(11-9-16)17(21)14-2-3-14/h4-7,12,14,16,19H,2-3,8-11H2,1H3
InChIKeyIHOJCVOBWVHCQN-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.50
Rot. Bonds4

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

[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 43747865) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID43747865
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H23BrN2O/c1-12(13-4-6-15(18)7-5-13)19-16-8-10-20(11-9-16)17(21)14-2-3-14/h4-7,12,14,16,19H,2-3,8-11H2,1H3
InChIKeyIHOJCVOBWVHCQN-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882
1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone
CID 119894332
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 63992476

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone (CID 43747865) is [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone is CC(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1.
What is the InChIKey of [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is IHOJCVOBWVHCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12(13-4-6-15(18)7-5-13)19-16-8-10-20(11-9-16)17(21)14-2-3-14/h4-7,12,14,16,19H,2-3,8-11H2,1H3.
What are the key properties of [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone?
[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 351.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 43747865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).