2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol

C12H24N2O3 — CID 123885254

IUPAC2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol
SMILESCCC(N)C(C)C=CC1NCC(O)C(O)C1O
InChIInChI=1S/C12H24N2O3/c1-3-8(13)7(2)4-5-9-11(16)12(17)10(15)6-14-9/h4-5,7-12,14-17H,3,6,13H2,1-2H3
InChIKeyUMIXHTOZDLNUKB-UHFFFAOYSA-N
MW244.33 g/mol
LogP-1.03
Rot. Bonds4

About 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol

2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol (PubChem CID 123885254) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol
PubChem CID123885254
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol
SMILESCCC(N)C(C)C=CC1NCC(O)C(O)C1O
InChIInChI=1S/C12H24N2O3/c1-3-8(13)7(2)4-5-9-11(16)12(17)10(15)6-14-9/h4-5,7-12,14-17H,3,6,13H2,1-2H3
InChIKeyUMIXHTOZDLNUKB-UHFFFAOYSA-N
XLogP-1.03
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol?
The IUPAC name of 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol (CID 123885254) is 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol.
What is the SMILES notation for 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol?
The canonical SMILES for 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol is CCC(N)C(C)C=CC1NCC(O)C(O)C1O.
What is the InChIKey of 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol?
The InChIKey is UMIXHTOZDLNUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-8(13)7(2)4-5-9-11(16)12(17)10(15)6-14-9/h4-5,7-12,14-17H,3,6,13H2,1-2H3.
What are the key properties of 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol?
2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol has a molecular weight of 244.33 g/mol, XLogP of -1.03, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylhex-1-enyl)piperidine-3,4,5-triol is sourced from PubChem (CID 123885254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).