1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride

C20H32ClN6O- — CID 53314022

IUPAC1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
SMILESCCCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1.[Cl-]
InChIInChI=1S/C20H32N6O.ClH/c1-3-4-10-19(20-21-22-23-26(20)15-16-27-2)25-13-11-24(12-14-25)17-18-8-6-5-7-9-18;/h5-9,19H,3-4,10-17H2,1-2H3;1H/p-1
InChIKeySDCCDLUQUDJRKT-UHFFFAOYSA-M
MW407.97 g/mol
LogP-0.63
Rot. Bonds10

About 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride

1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride (PubChem CID 53314022) has the molecular formula C20H32ClN6O- and a molecular weight of 407.97 g/mol. Its IUPAC name is 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride.

Molecular Properties

Compound Name1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
PubChem CID53314022
Molecular FormulaC20H32ClN6O-
Molecular Weight407.97 g/mol
Exact Mass407.23
IUPAC Name1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
SMILESCCCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1.[Cl-]
InChIInChI=1S/C20H32N6O.ClH/c1-3-4-10-19(20-21-22-23-26(20)15-16-27-2)25-13-11-24(12-14-25)17-18-8-6-5-7-9-18;/h5-9,19H,3-4,10-17H2,1-2H3;1H/p-1
InChIKeySDCCDLUQUDJRKT-UHFFFAOYSA-M
XLogP-0.63
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride 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-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
CID 51625660
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 644981
furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 7391486
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209350
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
1-benzyl-4-[(S)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 51625692
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
CID 7391504
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
CID 7389173
1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
CID 7397380

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride?
The IUPAC name of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride (CID 53314022) is 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride.
What is the SMILES notation for 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride?
The canonical SMILES for 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride is CCCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1.[Cl-].
What is the InChIKey of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride?
The InChIKey is SDCCDLUQUDJRKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H32N6O.ClH/c1-3-4-10-19(20-21-22-23-26(20)15-16-27-2)25-13-11-24(12-14-25)17-18-8-6-5-7-9-18;/h5-9,19H,3-4,10-17H2,1-2H3;1H/p-1.
What are the key properties of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride?
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride has a molecular weight of 407.97 g/mol, XLogP of -0.63, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride is sourced from PubChem (CID 53314022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).