1-methyl-4-(5-phenoxypentyl)piperazine

C16H26N2O — CID 10515643

IUPAC1-methyl-4-(5-phenoxypentyl)piperazine
SMILESCN1CCN(CCCCCOc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-17-11-13-18(14-12-17)10-6-3-7-15-19-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3
InChIKeyMTFOEWDUEURDPV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds7

About 1-methyl-4-(5-phenoxypentyl)piperazine

1-methyl-4-(5-phenoxypentyl)piperazine (PubChem CID 10515643) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-4-(5-phenoxypentyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-phenoxypentyl)piperazine
PubChem CID10515643
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methyl-4-(5-phenoxypentyl)piperazine
SMILESCN1CCN(CCCCCOc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-17-11-13-18(14-12-17)10-6-3-7-15-19-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3
InChIKeyMTFOEWDUEURDPV-UHFFFAOYSA-N
XLogP2.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(5-phenoxypentyl)piperazine 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

1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-phenoxypentyl)piperazine?
The IUPAC name of 1-methyl-4-(5-phenoxypentyl)piperazine (CID 10515643) is 1-methyl-4-(5-phenoxypentyl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-phenoxypentyl)piperazine?
The canonical SMILES for 1-methyl-4-(5-phenoxypentyl)piperazine is CN1CCN(CCCCCOc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(5-phenoxypentyl)piperazine?
The InChIKey is MTFOEWDUEURDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-11-13-18(14-12-17)10-6-3-7-15-19-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3.
What are the key properties of 1-methyl-4-(5-phenoxypentyl)piperazine?
1-methyl-4-(5-phenoxypentyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-phenoxypentyl)piperazine is sourced from PubChem (CID 10515643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).