4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol

C32H41NO2 — CID 22269407

IUPAC4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H41NO2/c1-32(2,3)28-21-19-25(20-22-28)29(34)17-12-24-33-23-11-10-18-30(33)35-31(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h4-9,13-16,19-22,29-31,34H,10-12,17-18,23-24H2,1-3H3
InChIKeyYCBUHTUSAPGTDY-UHFFFAOYSA-N
MW471.69 g/mol
LogP7.42
Rot. Bonds9

About 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol

4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol (PubChem CID 22269407) has the molecular formula C32H41NO2 and a molecular weight of 471.69 g/mol. Its IUPAC name is 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
PubChem CID22269407
Molecular FormulaC32H41NO2
Molecular Weight471.69 g/mol
Exact Mass471.31
IUPAC Name4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H41NO2/c1-32(2,3)28-21-19-25(20-22-28)29(34)17-12-24-33-23-11-10-18-30(33)35-31(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h4-9,13-16,19-22,29-31,34H,10-12,17-18,23-24H2,1-3H3
InChIKeyYCBUHTUSAPGTDY-UHFFFAOYSA-N
XLogP7.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-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-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
The IUPAC name of 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol (CID 22269407) is 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol.
What is the SMILES notation for 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
The canonical SMILES for 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol is CC(C)(C)c1ccc(C(O)CCCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
The InChIKey is YCBUHTUSAPGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO2/c1-32(2,3)28-21-19-25(20-22-28)29(34)17-12-24-33-23-11-10-18-30(33)35-31(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h4-9,13-16,19-22,29-31,34H,10-12,17-18,23-24H2,1-3H3.
What are the key properties of 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol?
4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol has a molecular weight of 471.69 g/mol, XLogP of 7.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol is sourced from PubChem (CID 22269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).