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

C9H14BrNO2 — CID 60872449

IUPAC1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid
SMILESC=C(Br)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14BrNO2/c1-7(10)6-11-4-2-8(3-5-11)9(12)13/h8H,1-6H2,(H,12,13)
InChIKeyXJYFNMQISCVMII-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.69
Rot. Bonds3

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

1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid (PubChem CID 60872449) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid
PubChem CID60872449
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Name1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid
SMILESC=C(Br)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14BrNO2/c1-7(10)6-11-4-2-8(3-5-11)9(12)13/h8H,1-6H2,(H,12,13)
InChIKeyXJYFNMQISCVMII-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
CID 63904193
1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
CID 106439191
1-(oxoboranylmethyl)piperidine-4-carboxylic acid
CID 54070788
1-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]piperidine-4-carboxylic acid
CID 129236518
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid (CID 60872449) is 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid is C=C(Br)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid?
The InChIKey is XJYFNMQISCVMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-7(10)6-11-4-2-8(3-5-11)9(12)13/h8H,1-6H2,(H,12,13).
What are the key properties of 1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid?
1-(2-bromoprop-2-enyl)piperidine-4-carboxylic acid has a molecular weight of 248.12 g/mol, XLogP of 1.69, 3 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)piperidine-4-carboxylic acid is sourced from PubChem (CID 60872449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).