1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid

C11H18BrNO2 — CID 63126160

IUPAC1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
SMILESC=C(Br)CN1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C11H18BrNO2/c1-3-11(10(14)15)4-6-13(7-5-11)8-9(2)12/h2-8H2,1H3,(H,14,15)
InChIKeyLKQJFBKQGCQITA-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid

1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63126160) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63126160
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
SMILESC=C(Br)CN1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C11H18BrNO2/c1-3-11(10(14)15)4-6-13(7-5-11)8-9(2)12/h2-8H2,1H3,(H,14,15)
InChIKeyLKQJFBKQGCQITA-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147801
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126585
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126649
4-ethyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxylic acid
CID 65066458
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148411
3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 63148391
3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid (CID 63126160) is 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid is C=C(Br)CN1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is LKQJFBKQGCQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-3-11(10(14)15)4-6-13(7-5-11)8-9(2)12/h2-8H2,1H3,(H,14,15).
What are the key properties of 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid?
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 276.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).