3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol

C15H27N3O — CID 114502495

IUPAC3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCCC(CC)n1ccc(CN2CCC(O)C(C)C2)n1
InChIInChI=1S/C15H27N3O/c1-4-14(5-2)18-9-6-13(16-18)11-17-8-7-15(19)12(3)10-17/h6,9,12,14-15,19H,4-5,7-8,10-11H2,1-3H3
InChIKeyFTVAZQSCSBPGHO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds5

About 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol

3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol (PubChem CID 114502495) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
PubChem CID114502495
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCCC(CC)n1ccc(CN2CCC(O)C(C)C2)n1
InChIInChI=1S/C15H27N3O/c1-4-14(5-2)18-9-6-13(16-18)11-17-8-7-15(19)12(3)10-17/h6,9,12,14-15,19H,4-5,7-8,10-11H2,1-3H3
InChIKeyFTVAZQSCSBPGHO-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol (CID 114502495) is 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol is CCC(CC)n1ccc(CN2CCC(O)C(C)C2)n1.
What is the InChIKey of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is FTVAZQSCSBPGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-14(5-2)18-9-6-13(16-18)11-17-8-7-15(19)12(3)10-17/h6,9,12,14-15,19H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol?
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 265.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114502495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).