3-phenyl-1-(3-propoxypropyl)piperazine

C16H26N2O — CID 82947433

IUPAC3-phenyl-1-(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-12-19-13-6-10-18-11-9-17-16(14-18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyBADNQQBZXOEATP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds7

About 3-phenyl-1-(3-propoxypropyl)piperazine

3-phenyl-1-(3-propoxypropyl)piperazine (PubChem CID 82947433) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-phenyl-1-(3-propoxypropyl)piperazine.

Molecular Properties

Compound Name3-phenyl-1-(3-propoxypropyl)piperazine
PubChem CID82947433
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-phenyl-1-(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-12-19-13-6-10-18-11-9-17-16(14-18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyBADNQQBZXOEATP-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-phenyl-1-(3-propoxypropyl)piperazine?
The IUPAC name of 3-phenyl-1-(3-propoxypropyl)piperazine (CID 82947433) is 3-phenyl-1-(3-propoxypropyl)piperazine.
What is the SMILES notation for 3-phenyl-1-(3-propoxypropyl)piperazine?
The canonical SMILES for 3-phenyl-1-(3-propoxypropyl)piperazine is CCCOCCCN1CCNC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-(3-propoxypropyl)piperazine?
The InChIKey is BADNQQBZXOEATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-12-19-13-6-10-18-11-9-17-16(14-18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3.
What are the key properties of 3-phenyl-1-(3-propoxypropyl)piperazine?
3-phenyl-1-(3-propoxypropyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-propoxypropyl)piperazine is sourced from PubChem (CID 82947433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).