4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid

C15H21BrN2O2 — CID 60992852

IUPAC4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(Nc2cccc(Br)c2)(C(=O)O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-2-8-18-9-6-15(7-10-18,14(19)20)17-13-5-3-4-12(16)11-13/h3-5,11,17H,2,6-10H2,1H3,(H,19,20)
InChIKeyNZKLTNPHIXDNCQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.19
Rot. Bonds5

About 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid

4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid (PubChem CID 60992852) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
PubChem CID60992852
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(Nc2cccc(Br)c2)(C(=O)O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-2-8-18-9-6-15(7-10-18,14(19)20)17-13-5-3-4-12(16)11-13/h3-5,11,17H,2,6-10H2,1H3,(H,19,20)
InChIKeyNZKLTNPHIXDNCQ-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
4-(3-methylanilino)-1-propylazepane-4-carboxylic acid
CID 65075650
1-(3-bromoanilino)-4-ethylcyclohexane-1-carboxylic acid
CID 60992854
3-(3-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993559
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
4-(3-bromoanilino)-1-propylazepane-4-carbonitrile
CID 65075835
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
1-(3-bromoanilino)-5'-cyclopropyl-1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-carboxylic acid
CID 164581875

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid (CID 60992852) is 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid is CCCN1CCC(Nc2cccc(Br)c2)(C(=O)O)CC1.
What is the InChIKey of 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid?
The InChIKey is NZKLTNPHIXDNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-2-8-18-9-6-15(7-10-18,14(19)20)17-13-5-3-4-12(16)11-13/h3-5,11,17H,2,6-10H2,1H3,(H,19,20).
What are the key properties of 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid?
4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid has a molecular weight of 341.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 60992852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).