4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol

C15H24N2O3 — CID 171882245

IUPAC4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(C2(O)CCNCC2)cc1
InChIInChI=1S/C15H24N2O3/c16-8-5-13(18)14(19)11-1-3-12(4-2-11)15(20)6-9-17-10-7-15/h1-4,13-14,17-20H,5-10,16H2
InChIKeyWCDJUKWMOADUCP-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.00
Rot. Bonds5

About 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol

4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol (PubChem CID 171882245) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol
PubChem CID171882245
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(C2(O)CCNCC2)cc1
InChIInChI=1S/C15H24N2O3/c16-8-5-13(18)14(19)11-1-3-12(4-2-11)15(20)6-9-17-10-7-15/h1-4,13-14,17-20H,5-10,16H2
InChIKeyWCDJUKWMOADUCP-UHFFFAOYSA-N
XLogP0.00
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol?
The IUPAC name of 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol (CID 171882245) is 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol.
What is the SMILES notation for 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol?
The canonical SMILES for 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol is NCCC(O)C(O)c1ccc(C2(O)CCNCC2)cc1.
What is the InChIKey of 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol?
The InChIKey is WCDJUKWMOADUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-8-5-13(18)14(19)11-1-3-12(4-2-11)15(20)6-9-17-10-7-15/h1-4,13-14,17-20H,5-10,16H2.
What are the key properties of 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol?
4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol has a molecular weight of 280.37 g/mol, XLogP of 0.00, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-hydroxypiperidin-4-yl)phenyl]butane-1,2-diol is sourced from PubChem (CID 171882245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).