(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid

C12H15BrN2O2 — CID 66853257

IUPAC(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
SMILESO=C(O)N(c1ccc(Br)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-5-10(6-4-9)15(12(16)17)11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H,16,17)/t11-/m1/s1
InChIKeyKUXSHDGVIAIEFH-LLVKDONJSA-N
MW299.17 g/mol
LogP2.69
Rot. Bonds2

About (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid

(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid (PubChem CID 66853257) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
PubChem CID66853257
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
SMILESO=C(O)N(c1ccc(Br)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-5-10(6-4-9)15(12(16)17)11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H,16,17)/t11-/m1/s1
InChIKeyKUXSHDGVIAIEFH-LLVKDONJSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic 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

2,3-dihydro-1H-inden-2-yl-(4-piperidin-3-ylphenyl)carbamic acid
CID 67242056
(3-nitro-4-pyridinyl)-piperidin-3-ylcarbamic acid
CID 68631222
tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
CID 141141954
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
N-[(4-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83034269
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide
CID 107280707
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
The IUPAC name of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid (CID 66853257) is (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid.
What is the SMILES notation for (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
The canonical SMILES for (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid is O=C(O)N(c1ccc(Br)cc1)[C@@H]1CCCNC1.
What is the InChIKey of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
The InChIKey is KUXSHDGVIAIEFH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-3-5-10(6-4-9)15(12(16)17)11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid has a molecular weight of 299.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid is sourced from PubChem (CID 66853257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).