1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol

C13H22N4O — CID 104534824

IUPAC1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2cncc(N)c2)CC1
InChIInChI=1S/C13H22N4O/c1-13(2,18)10-16-3-5-17(6-4-16)12-7-11(14)8-15-9-12/h7-9,18H,3-6,10,14H2,1-2H3
InChIKeyCMXNVXXEVPAFMA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.56
Rot. Bonds3

About 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 104534824) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID104534824
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2cncc(N)c2)CC1
InChIInChI=1S/C13H22N4O/c1-13(2,18)10-16-3-5-17(6-4-16)12-7-11(14)8-15-9-12/h7-9,18H,3-6,10,14H2,1-2H3
InChIKeyCMXNVXXEVPAFMA-UHFFFAOYSA-N
XLogP0.56
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol (CID 104534824) is 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(c2cncc(N)c2)CC1.
What is the InChIKey of 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is CMXNVXXEVPAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,18)10-16-3-5-17(6-4-16)12-7-11(14)8-15-9-12/h7-9,18H,3-6,10,14H2,1-2H3.
What are the key properties of 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 250.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-3-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 104534824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).