2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one

C11H22N2O2 — CID 43133250

IUPAC2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(15)13-5-3-9(7-14)4-6-13/h8-10,14H,3-7,12H2,1-2H3
InChIKeyZCQHTHBAWJZOSF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.20
Rot. Bonds3

About 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one

2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 43133250) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID43133250
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(15)13-5-3-9(7-14)4-6-13/h8-10,14H,3-7,12H2,1-2H3
InChIKeyZCQHTHBAWJZOSF-UHFFFAOYSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one (CID 43133250) is 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is ZCQHTHBAWJZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(12)11(15)13-5-3-9(7-14)4-6-13/h8-10,14H,3-7,12H2,1-2H3.
What are the key properties of 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 43133250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).