(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine

C11H18BrN3 — CID 168945390

IUPAC(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine
SMILESCN1CC[C@@H](n2cc(Br)cn2)CC1(C)C
InChIInChI=1S/C11H18BrN3/c1-11(2)6-10(4-5-14(11)3)15-8-9(12)7-13-15/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyPQINVEZOTQQUPA-SNVBAGLBSA-N
MW272.19 g/mol
LogP2.69
Rot. Bonds1

About (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine

(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine (PubChem CID 168945390) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine.

Molecular Properties

Compound Name(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine
PubChem CID168945390
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine
SMILESCN1CC[C@@H](n2cc(Br)cn2)CC1(C)C
InChIInChI=1S/C11H18BrN3/c1-11(2)6-10(4-5-14(11)3)15-8-9(12)7-13-15/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyPQINVEZOTQQUPA-SNVBAGLBSA-N
XLogP2.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine?
The IUPAC name of (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine (CID 168945390) is (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine.
What is the SMILES notation for (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine?
The canonical SMILES for (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine is CN1CC[C@@H](n2cc(Br)cn2)CC1(C)C.
What is the InChIKey of (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine?
The InChIKey is PQINVEZOTQQUPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-11(2)6-10(4-5-14(11)3)15-8-9(12)7-13-15/h7-8,10H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine?
(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine has a molecular weight of 272.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine is sourced from PubChem (CID 168945390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).