2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine

C15H25BrClN3 — CID 80671369

IUPAC2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
SMILESCCc1nn(CC)c(CN2CCCCC2CCBr)c1Cl
InChIInChI=1S/C15H25BrClN3/c1-3-13-15(17)14(20(4-2)18-13)11-19-10-6-5-7-12(19)8-9-16/h12H,3-11H2,1-2H3
InChIKeyYPNJSVPMSZXNCT-UHFFFAOYSA-N
MW362.74 g/mol
LogP4.26
Rot. Bonds6

About 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine

2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine (PubChem CID 80671369) has the molecular formula C15H25BrClN3 and a molecular weight of 362.74 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
PubChem CID80671369
Molecular FormulaC15H25BrClN3
Molecular Weight362.74 g/mol
Exact Mass361.09
IUPAC Name2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
SMILESCCc1nn(CC)c(CN2CCCCC2CCBr)c1Cl
InChIInChI=1S/C15H25BrClN3/c1-3-13-15(17)14(20(4-2)18-13)11-19-10-6-5-7-12(19)8-9-16/h12H,3-11H2,1-2H3
InChIKeyYPNJSVPMSZXNCT-UHFFFAOYSA-N
XLogP4.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
CID 80691876
2-(bromomethyl)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80674648
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 104691386
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338910
5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 102959533
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79547136
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 113390424

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine (CID 80671369) is 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine is CCc1nn(CC)c(CN2CCCCC2CCBr)c1Cl.
What is the InChIKey of 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine?
The InChIKey is YPNJSVPMSZXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrClN3/c1-3-13-15(17)14(20(4-2)18-13)11-19-10-6-5-7-12(19)8-9-16/h12H,3-11H2,1-2H3.
What are the key properties of 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine?
2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine has a molecular weight of 362.74 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 80671369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).