1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine

C10H16BrN3 — CID 131212413

IUPAC1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1cc(Br)c(CN2CCCCC2)n1
InChIInChI=1S/C10H16BrN3/c1-13-7-9(11)10(12-13)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3
InChIKeyMEYSSMGXPWXNIM-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.17
Rot. Bonds2

About 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine

1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 131212413) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
PubChem CID131212413
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1cc(Br)c(CN2CCCCC2)n1
InChIInChI=1S/C10H16BrN3/c1-13-7-9(11)10(12-13)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3
InChIKeyMEYSSMGXPWXNIM-UHFFFAOYSA-N
XLogP2.17
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine (CID 131212413) is 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine is Cn1cc(Br)c(CN2CCCCC2)n1.
What is the InChIKey of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is MEYSSMGXPWXNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-13-7-9(11)10(12-13)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3.
What are the key properties of 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine?
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 258.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 131212413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).