2-cyclopropyl-1-(3-phenoxypropyl)piperazine

C16H24N2O — CID 64833541

IUPAC2-cyclopropyl-1-(3-phenoxypropyl)piperazine
SMILESc1ccc(OCCCN2CCNCC2C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-5-15(6-3-1)19-12-4-10-18-11-9-17-13-16(18)14-7-8-14/h1-3,5-6,14,16-17H,4,7-13H2
InChIKeyDXTYZTSWHUOLKN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds6

About 2-cyclopropyl-1-(3-phenoxypropyl)piperazine

2-cyclopropyl-1-(3-phenoxypropyl)piperazine (PubChem CID 64833541) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-phenoxypropyl)piperazine
PubChem CID64833541
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-cyclopropyl-1-(3-phenoxypropyl)piperazine
SMILESc1ccc(OCCCN2CCNCC2C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-5-15(6-3-1)19-12-4-10-18-11-9-17-13-16(18)14-7-8-14/h1-3,5-6,14,16-17H,4,7-13H2
InChIKeyDXTYZTSWHUOLKN-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.14
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 2-cyclopropyl-1-(3-phenoxypropyl)piperazine?
The IUPAC name of 2-cyclopropyl-1-(3-phenoxypropyl)piperazine (CID 64833541) is 2-cyclopropyl-1-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-1-(3-phenoxypropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-1-(3-phenoxypropyl)piperazine is c1ccc(OCCCN2CCNCC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(3-phenoxypropyl)piperazine?
The InChIKey is DXTYZTSWHUOLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-5-15(6-3-1)19-12-4-10-18-11-9-17-13-16(18)14-7-8-14/h1-3,5-6,14,16-17H,4,7-13H2.
What are the key properties of 2-cyclopropyl-1-(3-phenoxypropyl)piperazine?
2-cyclopropyl-1-(3-phenoxypropyl)piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-phenoxypropyl)piperazine is sourced from PubChem (CID 64833541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).