1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine

C18H28N6O — CID 44753124

IUPAC1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(C(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N6O/c1-15(2)17(18-19-20-21-24(18)13-14-25-3)23-11-9-22(10-12-23)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyHXYGCPZPPKIMNZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.84
Rot. Bonds7

About 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine

1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine (PubChem CID 44753124) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine
PubChem CID44753124
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(C(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N6O/c1-15(2)17(18-19-20-21-24(18)13-14-25-3)23-11-9-22(10-12-23)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyHXYGCPZPPKIMNZ-UHFFFAOYSA-N
XLogP1.84
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine 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-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)morpholine
CID 44159519
1-(3-Chloro-phenyl)-4-{3-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 644852
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine (CID 44753124) is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine is COCCn1nnnc1C(C(C)C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine?
The InChIKey is HXYGCPZPPKIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-15(2)17(18-19-20-21-24(18)13-14-25-3)23-11-9-22(10-12-23)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3.
What are the key properties of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine?
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine has a molecular weight of 344.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine is sourced from PubChem (CID 44753124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).