4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine

C19H27N3O — CID 77093189

IUPAC4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2cnn(C(C)C)c2)CC1
InChIInChI=1S/C19H27N3O/c1-15(2)22-14-16(12-20-22)13-21-10-8-17(9-11-21)18-6-4-5-7-19(18)23-3/h4-7,12,14-15,17H,8-11,13H2,1-3H3
InChIKeyPRMBDWRIWSHGAZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.85
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine

4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine (PubChem CID 77093189) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
PubChem CID77093189
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2cnn(C(C)C)c2)CC1
InChIInChI=1S/C19H27N3O/c1-15(2)22-14-16(12-20-22)13-21-10-8-17(9-11-21)18-6-4-5-7-19(18)23-3/h4-7,12,14-15,17H,8-11,13H2,1-3H3
InChIKeyPRMBDWRIWSHGAZ-UHFFFAOYSA-N
XLogP3.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 124620281
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 74243129
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 74230143
5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134127393
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91764234
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 104869499
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 46083181

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine (CID 77093189) is 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine is COc1ccccc1C1CCN(Cc2cnn(C(C)C)c2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The InChIKey is PRMBDWRIWSHGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(2)22-14-16(12-20-22)13-21-10-8-17(9-11-21)18-6-4-5-7-19(18)23-3/h4-7,12,14-15,17H,8-11,13H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine has a molecular weight of 313.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 77093189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).