1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol

C15H27N3O — CID 79045465

IUPAC1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCCn1cc(CC(O)C(C)(C)N2CCCCC2)cn1
InChIInChI=1S/C15H27N3O/c1-4-18-12-13(11-16-18)10-14(19)15(2,3)17-8-6-5-7-9-17/h11-12,14,19H,4-10H2,1-3H3
InChIKeyZIOOAJUXXBEMAQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.07
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol

1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol (PubChem CID 79045465) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
PubChem CID79045465
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
SMILESCCn1cc(CC(O)C(C)(C)N2CCCCC2)cn1
InChIInChI=1S/C15H27N3O/c1-4-18-12-13(11-16-18)10-14(19)15(2,3)17-8-6-5-7-9-17/h11-12,14,19H,4-10H2,1-3H3
InChIKeyZIOOAJUXXBEMAQ-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069573
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79067191
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(1-ethylpyrazol-4-yl)-3-methyl-3-phenylbutan-2-ol
CID 63084667
[1-(1-ethylpyrazol-4-yl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240069
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopropyl)ethanol
CID 65420821
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192051
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83013968

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol (CID 79045465) is 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol is CCn1cc(CC(O)C(C)(C)N2CCCCC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
The InChIKey is ZIOOAJUXXBEMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-18-12-13(11-16-18)10-14(19)15(2,3)17-8-6-5-7-9-17/h11-12,14,19H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 79045465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).