1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine

C18H26N4O — CID 13054183

IUPAC1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine
SMILESCN1CCN(CCCCOc2ccccc2-c2ccn[nH]2)CC1
InChIInChI=1S/C18H26N4O/c1-21-11-13-22(14-12-21)10-4-5-15-23-18-7-3-2-6-16(18)17-8-9-19-20-17/h2-3,6-9H,4-5,10-15H2,1H3,(H,19,20)
InChIKeyORTDKTQMRPAMLI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.48
Rot. Bonds7

About 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine

1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine (PubChem CID 13054183) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine
PubChem CID13054183
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine
SMILESCN1CCN(CCCCOc2ccccc2-c2ccn[nH]2)CC1
InChIInChI=1S/C18H26N4O/c1-21-11-13-22(14-12-21)10-4-5-15-23-18-7-3-2-6-16(18)17-8-9-19-20-17/h2-3,6-9H,4-5,10-15H2,1H3,(H,19,20)
InChIKeyORTDKTQMRPAMLI-UHFFFAOYSA-N
XLogP2.48
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
2-[4-(4-methylpiperazin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2992837
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
dimethyl 3-[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388969
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine (CID 13054183) is 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine is CN1CCN(CCCCOc2ccccc2-c2ccn[nH]2)CC1.
What is the InChIKey of 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine?
The InChIKey is ORTDKTQMRPAMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-11-13-22(14-12-21)10-4-5-15-23-18-7-3-2-6-16(18)17-8-9-19-20-17/h2-3,6-9H,4-5,10-15H2,1H3,(H,19,20).
What are the key properties of 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine?
1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine has a molecular weight of 314.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-(1H-pyrazol-5-yl)phenoxy]butyl]piperazine is sourced from PubChem (CID 13054183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).