1,1-diphenyl-3-piperidin-1-ylpropan-1-ol

C20H25NO — CID 4904

IUPAC1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2
InChIKeyRQXCLMGKHJWMOA-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.80
Rot. Bonds5

About 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol

1,1-diphenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 4904) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID4904
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2
InChIKeyRQXCLMGKHJWMOA-UHFFFAOYSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol (CID 4904) is 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is RQXCLMGKHJWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2.
What are the key properties of 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol?
1,1-diphenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 4904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).