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

C22H35N3O — CID 90795397

IUPAC1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine
SMILESCC1=NN(c2ccc(OCCCN3CCCCC3)cc2)C(CC(C)C)C1
InChIInChI=1S/C22H35N3O/c1-18(2)16-21-17-19(3)23-25(21)20-8-10-22(11-9-20)26-15-7-14-24-12-5-4-6-13-24/h8-11,18,21H,4-7,12-17H2,1-3H3
InChIKeyAHHGJTGOOVAXKL-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.94
Rot. Bonds8

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

1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine (PubChem CID 90795397) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine
PubChem CID90795397
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine
SMILESCC1=NN(c2ccc(OCCCN3CCCCC3)cc2)C(CC(C)C)C1
InChIInChI=1S/C22H35N3O/c1-18(2)16-21-17-19(3)23-25(21)20-8-10-22(11-9-20)26-15-7-14-24-12-5-4-6-13-24/h8-11,18,21H,4-7,12-17H2,1-3H3
InChIKeyAHHGJTGOOVAXKL-UHFFFAOYSA-N
XLogP4.94
TPSA28.07 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 ≤ 54.94
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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Related Compounds

1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine
CID 67415010
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
3-methyl-5-(propan-2-yloxymethyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24784817
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 67198599
(4S)-4-(piperidin-1-ylmethyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]azetidin-2-one
CID 16662455
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
CID 141200350
3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one
CID 174703613
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24784815
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine (CID 90795397) is 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine is CC1=NN(c2ccc(OCCCN3CCCCC3)cc2)C(CC(C)C)C1.
What is the InChIKey of 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine?
The InChIKey is AHHGJTGOOVAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18(2)16-21-17-19(3)23-25(21)20-8-10-22(11-9-20)26-15-7-14-24-12-5-4-6-13-24/h8-11,18,21H,4-7,12-17H2,1-3H3.
What are the key properties of 1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine?
1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine has a molecular weight of 357.54 g/mol, XLogP of 4.94, 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-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine is sourced from PubChem (CID 90795397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).