3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine

C14H25N3O — CID 102954086

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine
SMILESCCC(C)n1ccc(COC2CNCCC2C)n1
InChIInChI=1S/C14H25N3O/c1-4-12(3)17-8-6-13(16-17)10-18-14-9-15-7-5-11(14)2/h6,8,11-12,14-15H,4-5,7,9-10H2,1-3H3
InChIKeyMLXIKSYGJAYDON-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds5

About 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine

3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine (PubChem CID 102954086) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine
PubChem CID102954086
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine
SMILESCCC(C)n1ccc(COC2CNCCC2C)n1
InChIInChI=1S/C14H25N3O/c1-4-12(3)17-8-6-13(16-17)10-18-14-9-15-7-5-11(14)2/h6,8,11-12,14-15H,4-5,7,9-10H2,1-3H3
InChIKeyMLXIKSYGJAYDON-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-(pyrrolidin-3-yloxymethyl)pyrazole
CID 64785935
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114451905
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64845053
4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
CID 130942600
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114451530
4-methyl-3-phenylmethoxypiperidine
CID 102954119
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 106939218
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66213681
1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
CID 64783273
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine (CID 102954086) is 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine is CCC(C)n1ccc(COC2CNCCC2C)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine?
The InChIKey is MLXIKSYGJAYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12(3)17-8-6-13(16-17)10-18-14-9-15-7-5-11(14)2/h6,8,11-12,14-15H,4-5,7,9-10H2,1-3H3.
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine?
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine is sourced from PubChem (CID 102954086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).