1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one

C11H22N2O — CID 177156090

IUPAC1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
SMILESCC(=O)C(NC(C)C)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-8(2)13-11(9(3)14)10-4-6-12-7-5-10/h8,10-13H,4-7H2,1-3H3
InChIKeyXXZBPSCUEINUCB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.94
Rot. Bonds4

About 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one

1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one (PubChem CID 177156090) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
PubChem CID177156090
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
SMILESCC(=O)C(NC(C)C)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-8(2)13-11(9(3)14)10-4-6-12-7-5-10/h8,10-13H,4-7H2,1-3H3
InChIKeyXXZBPSCUEINUCB-UHFFFAOYSA-N
XLogP0.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one (CID 177156090) is 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one is CC(=O)C(NC(C)C)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one?
The InChIKey is XXZBPSCUEINUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-11(9(3)14)10-4-6-12-7-5-10/h8,10-13H,4-7H2,1-3H3.
What are the key properties of 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one?
1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one has a molecular weight of 198.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 177156090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).