6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol

C13H21N3O — CID 171350566

IUPAC6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol
SMILESCC(C)CN1CCN(c2ccc(O)cn2)CC1
InChIInChI=1S/C13H21N3O/c1-11(2)10-15-5-7-16(8-6-15)13-4-3-12(17)9-14-13/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyIZPGHAPCDOPBCS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds3

About 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol

6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol (PubChem CID 171350566) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol
PubChem CID171350566
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol
SMILESCC(C)CN1CCN(c2ccc(O)cn2)CC1
InChIInChI=1S/C13H21N3O/c1-11(2)10-15-5-7-16(8-6-15)13-4-3-12(17)9-14-13/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyIZPGHAPCDOPBCS-UHFFFAOYSA-N
XLogP1.57
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol?
The IUPAC name of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol (CID 171350566) is 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol?
The canonical SMILES for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol is CC(C)CN1CCN(c2ccc(O)cn2)CC1.
What is the InChIKey of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol?
The InChIKey is IZPGHAPCDOPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(2)10-15-5-7-16(8-6-15)13-4-3-12(17)9-14-13/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol?
6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 171350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).