3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol

C13H23N3O — CID 156603672

IUPAC3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol
SMILESCC1CN(CCCn2cccn2)CCC1(C)O
InChIInChI=1S/C13H23N3O/c1-12-11-15(10-5-13(12,2)17)7-4-9-16-8-3-6-14-16/h3,6,8,12,17H,4-5,7,9-11H2,1-2H3
InChIKeyOWMUXKFWPKTUMZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds4

About 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol

3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol (PubChem CID 156603672) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol
PubChem CID156603672
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol
SMILESCC1CN(CCCn2cccn2)CCC1(C)O
InChIInChI=1S/C13H23N3O/c1-12-11-15(10-5-13(12,2)17)7-4-9-16-8-3-6-14-16/h3,6,8,12,17H,4-5,7,9-11H2,1-2H3
InChIKeyOWMUXKFWPKTUMZ-UHFFFAOYSA-N
XLogP1.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol?
The IUPAC name of 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol (CID 156603672) is 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol.
What is the SMILES notation for 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol?
The canonical SMILES for 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol is CC1CN(CCCn2cccn2)CCC1(C)O.
What is the InChIKey of 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol?
The InChIKey is OWMUXKFWPKTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-11-15(10-5-13(12,2)17)7-4-9-16-8-3-6-14-16/h3,6,8,12,17H,4-5,7,9-11H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol?
3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-pyrazol-1-ylpropyl)piperidin-4-ol is sourced from PubChem (CID 156603672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).