(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

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Related Compounds

4-bromo-1-cyclohexyl-1H-pyrazole
CID 57416971
4-(4-Bromo-1H-pyrazol-1-yl)piperidine
CID 52191621
4-Bromo-1-(cyclohexylmethyl)pyrazole
CID 46739498
4-(4-bromo-1H-pyrazol-1-yl)piperidine hydrochloride
CID 53407848
4-Bromo-1-(3-methylbutyl)-1H-pyrazole
CID 23247854
4-(4-Bromo-1h-Pyrazol-1-Yl)piperidinium
CID 52191620
4-Bromo-1-hexyl-1h-pyrazole
CID 61029695
(2S)-2-[4-[(4-bromopyrazol-1-yl)methyl]piperidin-1-yl]propanenitrile
CID 97814120
1-Tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 71225785
4-Bromo-1-(4,4-difluorocyclohexyl)pyrazole
CID 84738478
1-[3-(4-Bromopyrazol-1-yl)cyclohexyl]-4,4-difluoropiperidine
CID 118227191
1-[3-(4-Bromopyrazol-1-yl)cyclohexyl]-3,3-difluoropiperidine
CID 118227214

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).