4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine

C18H25N3O — CID 91834526

IUPAC4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
SMILESCOc1ccccc1C1CCN(CCCn2cccn2)CC1
InChIInChI=1S/C18H25N3O/c1-22-18-7-3-2-6-17(18)16-8-14-20(15-9-16)11-5-13-21-12-4-10-19-21/h2-4,6-7,10,12,16H,5,8-9,11,13-15H2,1H3
InChIKeyKHAMDEIWTCNJHS-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.16
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine

4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine (PubChem CID 91834526) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
PubChem CID91834526
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
SMILESCOc1ccccc1C1CCN(CCCn2cccn2)CC1
InChIInChI=1S/C18H25N3O/c1-22-18-7-3-2-6-17(18)16-8-14-20(15-9-16)11-5-13-21-12-4-10-19-21/h2-4,6-7,10,12,16H,5,8-9,11,13-15H2,1H3
InChIKeyKHAMDEIWTCNJHS-UHFFFAOYSA-N
XLogP3.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2-methyl-4-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrimidine
CID 91843194
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
CID 75482891
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane
CID 138056244
4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine
CID 14819327
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine (CID 91834526) is 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine is COc1ccccc1C1CCN(CCCn2cccn2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine?
The InChIKey is KHAMDEIWTCNJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-22-18-7-3-2-6-17(18)16-8-14-20(15-9-16)11-5-13-21-12-4-10-19-21/h2-4,6-7,10,12,16H,5,8-9,11,13-15H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine?
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine has a molecular weight of 299.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine is sourced from PubChem (CID 91834526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).