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

C15H25N3O — CID 58563293

IUPAC3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)c1cncc(N2CCN(CCCO)CC2)c1
InChIInChI=1S/C15H25N3O/c1-13(2)14-10-15(12-16-11-14)18-7-5-17(6-8-18)4-3-9-19/h10-13,19H,3-9H2,1-2H3
InChIKeyBBZNYRNEVSZOIK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.71
Rot. Bonds5

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

3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol (PubChem CID 58563293) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol
PubChem CID58563293
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)c1cncc(N2CCN(CCCO)CC2)c1
InChIInChI=1S/C15H25N3O/c1-13(2)14-10-15(12-16-11-14)18-7-5-17(6-8-18)4-3-9-19/h10-13,19H,3-9H2,1-2H3
InChIKeyBBZNYRNEVSZOIK-UHFFFAOYSA-N
XLogP1.71
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol (CID 58563293) is 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol is CC(C)c1cncc(N2CCN(CCCO)CC2)c1.
What is the InChIKey of 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol?
The InChIKey is BBZNYRNEVSZOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)14-10-15(12-16-11-14)18-7-5-17(6-8-18)4-3-9-19/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol?
3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-propan-2-yl-3-pyridinyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 58563293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).