(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene

C10H20N2O — CID 163661670

IUPAC(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene
SMILESC=CCC.NC[C@H]1NCCCC1=O
InChIInChI=1S/C6H12N2O.C4H8/c7-4-5-6(9)2-1-3-8-5;1-3-4-2/h5,8H,1-4,7H2;3H,1,4H2,2H3/t5-;/m1./s1
InChIKeyIUYNDZJOCFPLGF-NUBCRITNSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds2

About (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene

(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene (PubChem CID 163661670) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene
PubChem CID163661670
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene
SMILESC=CCC.NC[C@H]1NCCCC1=O
InChIInChI=1S/C6H12N2O.C4H8/c7-4-5-6(9)2-1-3-8-5;1-3-4-2/h5,8H,1-4,7H2;3H,1,4H2,2H3/t5-;/m1./s1
InChIKeyIUYNDZJOCFPLGF-NUBCRITNSA-N
XLogP0.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene?
The IUPAC name of (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene (CID 163661670) is (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene.
What is the SMILES notation for (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene?
The canonical SMILES for (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene is C=CCC.NC[C@H]1NCCCC1=O.
What is the InChIKey of (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene?
The InChIKey is IUYNDZJOCFPLGF-NUBCRITNSA-N. The full InChI is InChI=1S/C6H12N2O.C4H8/c7-4-5-6(9)2-1-3-8-5;1-3-4-2/h5,8H,1-4,7H2;3H,1,4H2,2H3/t5-;/m1./s1.
What are the key properties of (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene?
(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene has a molecular weight of 184.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)piperidin-3-one;but-1-ene is sourced from PubChem (CID 163661670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).