2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol

C15H25N3O — CID 43817877

IUPAC2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol
SMILESC=CCn1ncc(CN2CCCCC2CCO)c1C
InChIInChI=1S/C15H25N3O/c1-3-8-18-13(2)14(11-16-18)12-17-9-5-4-6-15(17)7-10-19/h3,11,15,19H,1,4-10,12H2,2H3
InChIKeyNBIJJZBMUWPQQI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol

2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 43817877) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol
PubChem CID43817877
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol
SMILESC=CCn1ncc(CN2CCCCC2CCO)c1C
InChIInChI=1S/C15H25N3O/c1-3-8-18-13(2)14(11-16-18)12-17-9-5-4-6-15(17)7-10-19/h3,11,15,19H,1,4-10,12H2,2H3
InChIKeyNBIJJZBMUWPQQI-UHFFFAOYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol (CID 43817877) is 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol is C=CCn1ncc(CN2CCCCC2CCO)c1C.
What is the InChIKey of 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is NBIJJZBMUWPQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-8-18-13(2)14(11-16-18)12-17-9-5-4-6-15(17)7-10-19/h3,11,15,19H,1,4-10,12H2,2H3.
What are the key properties of 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 43817877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).