1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one

C12H24N2O — CID 22313262

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC(CN)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)9-14-6-4-10(8-13)5-7-14/h10H,4-9,13H2,1-3H3
InChIKeyBVOHYAYRWRIWGK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.27
Rot. Bonds3

About 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one

1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 22313262) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID22313262
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC(CN)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11(15)9-14-6-4-10(8-13)5-7-14/h10H,4-9,13H2,1-3H3
InChIKeyBVOHYAYRWRIWGK-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one (CID 22313262) is 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is BVOHYAYRWRIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11(15)9-14-6-4-10(8-13)5-7-14/h10H,4-9,13H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one?
1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 22313262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).