1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine

C22H35N3O — CID 67415010

IUPAC1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine
SMILESCC1=CCN(c2ccc(OCCCN3CCCCC3)cc2)N1CC(C)C
InChIInChI=1S/C22H35N3O/c1-19(2)18-25-20(3)12-16-24(25)21-8-10-22(11-9-21)26-17-7-15-23-13-5-4-6-14-23/h8-12,19H,4-7,13-18H2,1-3H3
InChIKeyQRKURAVXYZPCDZ-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.54
Rot. Bonds8

About 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine

1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine (PubChem CID 67415010) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine
PubChem CID67415010
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine
SMILESCC1=CCN(c2ccc(OCCCN3CCCCC3)cc2)N1CC(C)C
InChIInChI=1S/C22H35N3O/c1-19(2)18-25-20(3)12-16-24(25)21-8-10-22(11-9-21)26-17-7-15-23-13-5-4-6-14-23/h8-12,19H,4-7,13-18H2,1-3H3
InChIKeyQRKURAVXYZPCDZ-UHFFFAOYSA-N
XLogP4.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.54
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-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine (CID 67415010) is 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine is CC1=CCN(c2ccc(OCCCN3CCCCC3)cc2)N1CC(C)C.
What is the InChIKey of 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine?
The InChIKey is QRKURAVXYZPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-19(2)18-25-20(3)12-16-24(25)21-8-10-22(11-9-21)26-17-7-15-23-13-5-4-6-14-23/h8-12,19H,4-7,13-18H2,1-3H3.
What are the key properties of 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine?
1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine has a molecular weight of 357.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine is sourced from PubChem (CID 67415010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).