1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one

C10H20N2O — CID 131320738

IUPAC1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC[C@@H](C)[C@@H](N)C1
InChIInChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-8(3)9(11)6-12/h7-9H,4-6,11H2,1-3H3/t8-,9+/m1/s1
InChIKeyUSEXXTSATYHPEM-BDAKNGLRSA-N
MW184.28 g/mol
LogP0.84
Rot. Bonds1

About 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one

1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 131320738) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID131320738
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC[C@@H](C)[C@@H](N)C1
InChIInChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-8(3)9(11)6-12/h7-9H,4-6,11H2,1-3H3/t8-,9+/m1/s1
InChIKeyUSEXXTSATYHPEM-BDAKNGLRSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one (CID 131320738) is 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC[C@@H](C)[C@@H](N)C1.
What is the InChIKey of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is USEXXTSATYHPEM-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)10(13)12-5-4-8(3)9(11)6-12/h7-9H,4-6,11H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 131320738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).