1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol

C21H28N2O — CID 155553417

IUPAC1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol
SMILESNCC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-17,22H2
InChIKeyKOEOPFMUSPHSQB-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol

1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol (PubChem CID 155553417) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol
PubChem CID155553417
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol
SMILESNCC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-17,22H2
InChIKeyKOEOPFMUSPHSQB-UHFFFAOYSA-N
XLogP2.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol?
The IUPAC name of 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol (CID 155553417) is 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol?
The canonical SMILES for 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol is NCC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol?
The InChIKey is KOEOPFMUSPHSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-17,22H2.
What are the key properties of 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol?
1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol has a molecular weight of 324.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-diphenylbutyl)piperidin-4-ol is sourced from PubChem (CID 155553417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).