1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol

C15H25N3O2 — CID 65447571

IUPAC1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol
SMILESOC(COCCCc1ccncc1)CN1CCNCC1
InChIInChI=1S/C15H25N3O2/c19-15(12-18-9-7-17-8-10-18)13-20-11-1-2-14-3-5-16-6-4-14/h3-6,15,17,19H,1-2,7-13H2
InChIKeyGSTPZPYWYUTCIF-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.30
Rot. Bonds8

About 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol

1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol (PubChem CID 65447571) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol
PubChem CID65447571
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol
SMILESOC(COCCCc1ccncc1)CN1CCNCC1
InChIInChI=1S/C15H25N3O2/c19-15(12-18-9-7-17-8-10-18)13-20-11-1-2-14-3-5-16-6-4-14/h3-6,15,17,19H,1-2,7-13H2
InChIKeyGSTPZPYWYUTCIF-UHFFFAOYSA-N
XLogP0.30
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol (CID 65447571) is 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol is OC(COCCCc1ccncc1)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol?
The InChIKey is GSTPZPYWYUTCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-15(12-18-9-7-17-8-10-18)13-20-11-1-2-14-3-5-16-6-4-14/h3-6,15,17,19H,1-2,7-13H2.
What are the key properties of 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol?
1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol is sourced from PubChem (CID 65447571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).