1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine

C19H25Cl2N3O — CID 11625126

IUPAC1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine
SMILESCc1cc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O/c1-15-13-19(22-24(15)16-7-8-17(20)18(21)14-16)25-12-6-5-11-23-9-3-2-4-10-23/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyXKEZHFHUXSUJGC-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.13
Rot. Bonds7

About 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine

1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine (PubChem CID 11625126) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine.

Molecular Properties

Compound Name1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine
PubChem CID11625126
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine
SMILESCc1cc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O/c1-15-13-19(22-24(15)16-7-8-17(20)18(21)14-16)25-12-6-5-11-23-9-3-2-4-10-23/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyXKEZHFHUXSUJGC-UHFFFAOYSA-N
XLogP5.13
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine?
The IUPAC name of 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine (CID 11625126) is 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine.
What is the SMILES notation for 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine?
The canonical SMILES for 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine is Cc1cc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine?
The InChIKey is XKEZHFHUXSUJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O/c1-15-13-19(22-24(15)16-7-8-17(20)18(21)14-16)25-12-6-5-11-23-9-3-2-4-10-23/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine?
1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine has a molecular weight of 382.34 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperidine is sourced from PubChem (CID 11625126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).