4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid

C9H13Br2NO2 — CID 87209791

IUPAC4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC=C(Br)Br)CC1
InChIInChI=1S/C9H13Br2NO2/c10-8(11)2-1-7-3-5-12(6-4-7)9(13)14/h2,7H,1,3-6H2,(H,13,14)
InChIKeyWZNWSOAXGFTQSU-UHFFFAOYSA-N
MW327.02 g/mol
LogP3.40
Rot. Bonds2

About 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid

4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid (PubChem CID 87209791) has the molecular formula C9H13Br2NO2 and a molecular weight of 327.02 g/mol. Its IUPAC name is 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
PubChem CID87209791
Molecular FormulaC9H13Br2NO2
Molecular Weight327.02 g/mol
Exact Mass324.93
IUPAC Name4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CC=C(Br)Br)CC1
InChIInChI=1S/C9H13Br2NO2/c10-8(11)2-1-7-3-5-12(6-4-7)9(13)14/h2,7H,1,3-6H2,(H,13,14)
InChIKeyWZNWSOAXGFTQSU-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
CID 22047732
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid (CID 87209791) is 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CC=C(Br)Br)CC1.
What is the InChIKey of 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid?
The InChIKey is WZNWSOAXGFTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NO2/c10-8(11)2-1-7-3-5-12(6-4-7)9(13)14/h2,7H,1,3-6H2,(H,13,14).
What are the key properties of 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid?
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid has a molecular weight of 327.02 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87209791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).