3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid

C11H18BrNO3 — CID 63904193

IUPAC3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
SMILESC=C(Br)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H18BrNO3/c1-9(12)8-13-5-2-10(3-6-13)16-7-4-11(14)15/h10H,1-8H2,(H,14,15)
InChIKeyTZQCEBMWLHRVRC-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.85
Rot. Bonds6

About 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid

3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63904193) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63904193
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
SMILESC=C(Br)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H18BrNO3/c1-9(12)8-13-5-2-10(3-6-13)16-7-4-11(14)15/h10H,1-8H2,(H,14,15)
InChIKeyTZQCEBMWLHRVRC-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79737370
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63904959
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63902664
1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid
CID 60872449
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-cyclopentyloxypropanoic acid
CID 24706641
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65213724
3-(1-pent-3-ynylpiperidin-4-yl)oxypropanoic acid
CID 104808769
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid (CID 63904193) is 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid is C=C(Br)CN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is TZQCEBMWLHRVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3/c1-9(12)8-13-5-2-10(3-6-13)16-7-4-11(14)15/h10H,1-8H2,(H,14,15).
What are the key properties of 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 292.17 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63904193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).