1-methyl-4-(2-phenylmethoxyethyl)piperazine

C14H22N2O — CID 13309119

IUPAC1-methyl-4-(2-phenylmethoxyethyl)piperazine
SMILESCN1CCN(CCOCc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-7-9-16(10-8-15)11-12-17-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyPECBDNWLNXMHGA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds5

About 1-methyl-4-(2-phenylmethoxyethyl)piperazine

1-methyl-4-(2-phenylmethoxyethyl)piperazine (PubChem CID 13309119) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylmethoxyethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-phenylmethoxyethyl)piperazine
PubChem CID13309119
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-methyl-4-(2-phenylmethoxyethyl)piperazine
SMILESCN1CCN(CCOCc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-7-9-16(10-8-15)11-12-17-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyPECBDNWLNXMHGA-UHFFFAOYSA-N
XLogP1.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
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-(2-phenylmethoxyethyl)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(2-phenylmethoxyethyl)piperazine
CID 2973061
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
CID 2992878
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-[2-[[3-[1-[3-[2-(aziridin-1-yl)ethoxymethyl]phenyl]ethyl]phenyl]methoxy]ethyl]aziridine
CID 101370811
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylmethoxyethyl)piperazine?
The IUPAC name of 1-methyl-4-(2-phenylmethoxyethyl)piperazine (CID 13309119) is 1-methyl-4-(2-phenylmethoxyethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-phenylmethoxyethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-phenylmethoxyethyl)piperazine is CN1CCN(CCOCc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(2-phenylmethoxyethyl)piperazine?
The InChIKey is PECBDNWLNXMHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-7-9-16(10-8-15)11-12-17-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 1-methyl-4-(2-phenylmethoxyethyl)piperazine?
1-methyl-4-(2-phenylmethoxyethyl)piperazine has a molecular weight of 234.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylmethoxyethyl)piperazine is sourced from PubChem (CID 13309119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).