[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid

C12H16BrN3O2 — CID 134496862

IUPAC[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid
SMILESCC1(NC(=O)O)CCN(c2ccc(Br)nc2)CC1
InChIInChI=1S/C12H16BrN3O2/c1-12(15-11(17)18)4-6-16(7-5-12)9-2-3-10(13)14-8-9/h2-3,8,15H,4-7H2,1H3,(H,17,18)
InChIKeyAIIGEEUDQYAWMA-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.47
Rot. Bonds2

About [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid

[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid (PubChem CID 134496862) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid
PubChem CID134496862
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid
SMILESCC1(NC(=O)O)CCN(c2ccc(Br)nc2)CC1
InChIInChI=1S/C12H16BrN3O2/c1-12(15-11(17)18)4-6-16(7-5-12)9-2-3-10(13)14-8-9/h2-3,8,15H,4-7H2,1H3,(H,17,18)
InChIKeyAIIGEEUDQYAWMA-UHFFFAOYSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-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

[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155045808
[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 118239519
4-(6-bromo-3-pyridinyl)-2,3,5,6-tetrahydro-1,4-diazepine
CID 54592422
(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol
CID 95731179
[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 135240575
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980
2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]-2-hydroxyacetic acid
CID 126572393
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
1-(6-bromopyridine-3-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595142
4-(4,4-dimethylpiperidin-1-yl)benzoic acid;ethane
CID 143852634
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid (CID 134496862) is [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid is CC1(NC(=O)O)CCN(c2ccc(Br)nc2)CC1.
What is the InChIKey of [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid?
The InChIKey is AIIGEEUDQYAWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-12(15-11(17)18)4-6-16(7-5-12)9-2-3-10(13)14-8-9/h2-3,8,15H,4-7H2,1H3,(H,17,18).
What are the key properties of [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid?
[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid has a molecular weight of 314.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 134496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).