3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine

C15H18BrN3 — CID 79455056

IUPAC3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCNCC2c2ccccc2Br)cn1
InChIInChI=1S/C15H18BrN3/c1-19-10-11(8-18-19)12-6-7-17-9-14(12)13-4-2-3-5-15(13)16/h2-5,8,10,12,14,17H,6-7,9H2,1H3
InChIKeyGPFUKUKLXHYHJL-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.04
Rot. Bonds2

About 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine

3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 79455056) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID79455056
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCNCC2c2ccccc2Br)cn1
InChIInChI=1S/C15H18BrN3/c1-19-10-11(8-18-19)12-6-7-17-9-14(12)13-4-2-3-5-15(13)16/h2-5,8,10,12,14,17H,6-7,9H2,1H3
InChIKeyGPFUKUKLXHYHJL-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine (CID 79455056) is 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine is Cn1cc(C2CCNCC2c2ccccc2Br)cn1.
What is the InChIKey of 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is GPFUKUKLXHYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-10-11(8-18-19)12-6-7-17-9-14(12)13-4-2-3-5-15(13)16/h2-5,8,10,12,14,17H,6-7,9H2,1H3.
What are the key properties of 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine?
3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 79455056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).