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

C13H20ClN3O — CID 63237417

IUPAC1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H20ClN3O/c1-13(2,18)10-16-5-7-17(8-6-16)12-4-3-11(14)9-15-12/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyUPZOKHOLBCLJHJ-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.63
Rot. Bonds3

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

1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 63237417) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID63237417
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H20ClN3O/c1-13(2,18)10-16-5-7-17(8-6-16)12-4-3-11(14)9-15-12/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyUPZOKHOLBCLJHJ-UHFFFAOYSA-N
XLogP1.63
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol (CID 63237417) is 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is UPZOKHOLBCLJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-13(2,18)10-16-5-7-17(8-6-16)12-4-3-11(14)9-15-12/h3-4,9,18H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 269.78 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 63237417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).