2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine

C17H28N2O — CID 64846367

IUPAC2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCOc2ccccc2)C(C)CN1
InChIInChI=1S/C17H28N2O/c1-3-8-16-14-19(15(2)13-18-16)11-7-12-20-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,3,7-8,11-14H2,1-2H3
InChIKeyYGDSRNOZKQCIRA-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds7

About 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine

2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine (PubChem CID 64846367) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
PubChem CID64846367
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCOc2ccccc2)C(C)CN1
InChIInChI=1S/C17H28N2O/c1-3-8-16-14-19(15(2)13-18-16)11-7-12-20-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,3,7-8,11-14H2,1-2H3
InChIKeyYGDSRNOZKQCIRA-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1-(2-methoxyethyl)-2-methyl-5-propylpiperazine
CID 64846555
1-(2-butoxyethyl)-2-methyl-5-propylpiperazine
CID 64846186
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine
CID 82248507
2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64846379
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
CID 106043841
N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
CID 64934814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine?
The IUPAC name of 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine (CID 64846367) is 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine.
What is the SMILES notation for 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine?
The canonical SMILES for 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine is CCCC1CN(CCCOc2ccccc2)C(C)CN1.
What is the InChIKey of 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine?
The InChIKey is YGDSRNOZKQCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-8-16-14-19(15(2)13-18-16)11-7-12-20-17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,3,7-8,11-14H2,1-2H3.
What are the key properties of 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine?
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine is sourced from PubChem (CID 64846367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).