2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol

C12H19N3O — CID 146276335

IUPAC2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C12H19N3O/c1-12(2,16)11-9-10(3-4-14-11)15-7-5-13-6-8-15/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyVPOGRCSBEXKYJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.72
Rot. Bonds2

About 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol

2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol (PubChem CID 146276335) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
PubChem CID146276335
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C12H19N3O/c1-12(2,16)11-9-10(3-4-14-11)15-7-5-13-6-8-15/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyVPOGRCSBEXKYJZ-UHFFFAOYSA-N
XLogP0.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol (CID 146276335) is 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol is CC(C)(O)c1cc(N2CCNCC2)ccn1.
What is the InChIKey of 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol?
The InChIKey is VPOGRCSBEXKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,16)11-9-10(3-4-14-11)15-7-5-13-6-8-15/h3-4,9,13,16H,5-8H2,1-2H3.
What are the key properties of 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol?
2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 146276335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).