1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol

C21H30N2O — CID 10286561

IUPAC1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2
InChIKeyPMDFXUUOQUKLKK-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.87
Rot. Bonds4

About 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol

1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol (PubChem CID 10286561) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
PubChem CID10286561
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2
InChIKeyPMDFXUUOQUKLKK-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]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 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol (CID 10286561) is 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is PMDFXUUOQUKLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2.
What are the key properties of 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol?
1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 326.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 10286561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).