1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid

C19H19Br2NO2 — CID 4285852

IUPAC1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccccc2Br)c2ccccc2Br)CC1
InChIInChI=1S/C19H19Br2NO2/c20-16-7-3-1-5-14(16)18(15-6-2-4-8-17(15)21)22-11-9-13(10-12-22)19(23)24/h1-8,13,18H,9-12H2,(H,23,24)
InChIKeyJMPIWPHHMOQUDP-UHFFFAOYSA-N
MW453.17 g/mol
LogP5.10
Rot. Bonds4

About 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid

1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 4285852) has the molecular formula C19H19Br2NO2 and a molecular weight of 453.17 g/mol. Its IUPAC name is 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID4285852
Molecular FormulaC19H19Br2NO2
Molecular Weight453.17 g/mol
Exact Mass450.98
IUPAC Name1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccccc2Br)c2ccccc2Br)CC1
InChIInChI=1S/C19H19Br2NO2/c20-16-7-3-1-5-14(16)18(15-6-2-4-8-17(15)21)22-11-9-13(10-12-22)19(23)24/h1-8,13,18H,9-12H2,(H,23,24)
InChIKeyJMPIWPHHMOQUDP-UHFFFAOYSA-N
XLogP5.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.17
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 5138968
1-[(2-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5007255
1-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4031510
1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid
CID 4019074
1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3344126
4-[amino-(2-bromophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938824
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(2-bromo-4,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3408594
1-[(5-bromo-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3295348
1-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]piperidine-4-carboxylic acid
CID 3964114
1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3566266

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid (CID 4285852) is 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccccc2Br)c2ccccc2Br)CC1.
What is the InChIKey of 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is JMPIWPHHMOQUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO2/c20-16-7-3-1-5-14(16)18(15-6-2-4-8-17(15)21)22-11-9-13(10-12-22)19(23)24/h1-8,13,18H,9-12H2,(H,23,24).
What are the key properties of 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid?
1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 453.17 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-bromophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).