4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine

C11H18BrN3 — CID 103015270

IUPAC4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCn1cc(CCN2CCC(Br)CC2)cn1
InChIInChI=1S/C11H18BrN3/c1-14-9-10(8-13-14)2-5-15-6-3-11(12)4-7-15/h8-9,11H,2-7H2,1H3
InChIKeySUASUXKGEBXXGW-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.82
Rot. Bonds3

About 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine

4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine (PubChem CID 103015270) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
PubChem CID103015270
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCn1cc(CCN2CCC(Br)CC2)cn1
InChIInChI=1S/C11H18BrN3/c1-14-9-10(8-13-14)2-5-15-6-3-11(12)4-7-15/h8-9,11H,2-7H2,1H3
InChIKeySUASUXKGEBXXGW-UHFFFAOYSA-N
XLogP1.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine 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

4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carbothioamide
CID 103002659
3-[2-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 103815562
3-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 80686659
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 80689417
4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
CID 64508030
3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The IUPAC name of 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine (CID 103015270) is 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine is Cn1cc(CCN2CCC(Br)CC2)cn1.
What is the InChIKey of 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The InChIKey is SUASUXKGEBXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-14-9-10(8-13-14)2-5-15-6-3-11(12)4-7-15/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine has a molecular weight of 272.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 103015270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).