4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol

C22H25NO3 — CID 46966233

IUPAC4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol
SMILESC#CCOc1ccccc1CN1CCC(O)(c2ccccc2OC)CC1
InChIInChI=1S/C22H25NO3/c1-3-16-26-20-10-6-4-8-18(20)17-23-14-12-22(24,13-15-23)19-9-5-7-11-21(19)25-2/h1,4-11,24H,12-17H2,2H3
InChIKeyHQCFJVKUDUKNOP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.19
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol

4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol (PubChem CID 46966233) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol
PubChem CID46966233
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol
SMILESC#CCOc1ccccc1CN1CCC(O)(c2ccccc2OC)CC1
InChIInChI=1S/C22H25NO3/c1-3-16-26-20-10-6-4-8-18(20)17-23-14-12-22(24,13-15-23)19-9-5-7-11-21(19)25-2/h1,4-11,24H,12-17H2,2H3
InChIKeyHQCFJVKUDUKNOP-UHFFFAOYSA-N
XLogP3.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol 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 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol (CID 46966233) is 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol is C#CCOc1ccccc1CN1CCC(O)(c2ccccc2OC)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is HQCFJVKUDUKNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-3-16-26-20-10-6-4-8-18(20)17-23-14-12-22(24,13-15-23)19-9-5-7-11-21(19)25-2/h1,4-11,24H,12-17H2,2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol?
4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 351.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 46966233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).