1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C14H22N4O — CID 43462396

IUPAC1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3
InChIKeyDCXHEPUCLQREOO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.36
Rot. Bonds1

About 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 43462396) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID43462396
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3
InChIKeyDCXHEPUCLQREOO-UHFFFAOYSA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 43462396) is 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2ccncc2N)CC1.
What is the InChIKey of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is DCXHEPUCLQREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 262.36 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 43462396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).