1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride

C22H29ClN6O2 — CID 6603072

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride
SMILESCOCCn1nnnc1C(c1ccccc1OC)N1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C22H28N6O2.ClH/c1-29-17-16-28-22(23-24-25-28)21(19-10-6-7-11-20(19)30-2)27-14-12-26(13-15-27)18-8-4-3-5-9-18;/h3-11,21H,12-17H2,1-2H3;1H
InChIKeyXPTPRFMKNGNDRT-UHFFFAOYSA-N
MW444.97 g/mol
LogP2.66
Rot. Bonds8

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride (PubChem CID 6603072) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride
PubChem CID6603072
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride
SMILESCOCCn1nnnc1C(c1ccccc1OC)N1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C22H28N6O2.ClH/c1-29-17-16-28-22(23-24-25-28)21(19-10-6-7-11-20(19)30-2)27-14-12-26(13-15-27)18-8-4-3-5-9-18;/h3-11,21H,12-17H2,1-2H3;1H
InChIKeyXPTPRFMKNGNDRT-UHFFFAOYSA-N
XLogP2.66
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride (CID 6603072) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride is COCCn1nnnc1C(c1ccccc1OC)N1CCN(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride?
The InChIKey is XPTPRFMKNGNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2.ClH/c1-29-17-16-28-22(23-24-25-28)21(19-10-6-7-11-20(19)30-2)27-14-12-26(13-15-27)18-8-4-3-5-9-18;/h3-11,21H,12-17H2,1-2H3;1H.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride has a molecular weight of 444.97 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride is sourced from PubChem (CID 6603072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).