1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride

C20H33ClN6O2 — CID 6602652

IUPAC1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride
SMILESCCCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1.Cl
InChIInChI=1S/C20H32N6O2.ClH/c1-4-5-9-19(20-21-22-23-26(20)14-15-27-2)25-12-10-24(11-13-25)17-7-6-8-18(16-17)28-3;/h6-8,16,19H,4-5,9-15H2,1-3H3;1H
InChIKeyCTMYVIZVRFRENY-UHFFFAOYSA-N
MW424.98 g/mol
LogP2.80
Rot. Bonds10

About 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride

1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride (PubChem CID 6602652) has the molecular formula C20H33ClN6O2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride
PubChem CID6602652
Molecular FormulaC20H33ClN6O2
Molecular Weight424.98 g/mol
Exact Mass424.24
IUPAC Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride
SMILESCCCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1.Cl
InChIInChI=1S/C20H32N6O2.ClH/c1-4-5-9-19(20-21-22-23-26(20)14-15-27-2)25-12-10-24(11-13-25)17-7-6-8-18(16-17)28-3;/h6-8,16,19H,4-5,9-15H2,1-3H3;1H
InChIKeyCTMYVIZVRFRENY-UHFFFAOYSA-N
XLogP2.80
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride (CID 6602652) is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride is CCCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1.Cl.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is CTMYVIZVRFRENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2.ClH/c1-4-5-9-19(20-21-22-23-26(20)14-15-27-2)25-12-10-24(11-13-25)17-7-6-8-18(16-17)28-3;/h6-8,16,19H,4-5,9-15H2,1-3H3;1H.
What are the key properties of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride?
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]-4-(3-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 6602652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).