(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

C11H22N2O — CID 104939664

IUPAC(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C11H22N2O/c1-7-5-8(2)10(4)13(6-7)11(14)9(3)12/h7-10H,5-6,12H2,1-4H3/t7?,8?,9-,10?/m1/s1
InChIKeyQJPCGNLYZDIXNI-OWTMBLHMSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds1

About (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (PubChem CID 104939664) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
PubChem CID104939664
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C11H22N2O/c1-7-5-8(2)10(4)13(6-7)11(14)9(3)12/h7-10H,5-6,12H2,1-4H3/t7?,8?,9-,10?/m1/s1
InChIKeyQJPCGNLYZDIXNI-OWTMBLHMSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (CID 104939664) is (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is CC1CC(C)C(C)N(C(=O)[C@@H](C)N)C1.
What is the InChIKey of (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The InChIKey is QJPCGNLYZDIXNI-OWTMBLHMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-5-8(2)10(4)13(6-7)11(14)9(3)12/h7-10H,5-6,12H2,1-4H3/t7?,8?,9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 104939664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).