1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine

C24H32N6O2 — CID 3210562

IUPAC1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
SMILESCCC(c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N6O2/c1-4-21(29-16-14-28(15-17-29)20-8-6-5-7-9-20)24-25-26-27-30(24)13-12-19-10-11-22(31-2)23(18-19)32-3/h5-11,18,21H,4,12-17H2,1-3H3
InChIKeyQICHMQBYILQHAV-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.21
Rot. Bonds9

About 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine

1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine (PubChem CID 3210562) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
PubChem CID3210562
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
SMILESCCC(c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N6O2/c1-4-21(29-16-14-28(15-17-29)20-8-6-5-7-9-20)24-25-26-27-30(24)13-12-19-10-11-22(31-2)23(18-19)32-3/h5-11,18,21H,4,12-17H2,1-3H3
InChIKeyQICHMQBYILQHAV-UHFFFAOYSA-N
XLogP3.21
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-3-methylbutyl]-4-(4-methoxyphenyl)piperazine
CID 3210590
1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668554
1-benzyl-4-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210591
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-[(R)-(2,5-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 28673564
1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-(2-methoxyphenyl)-4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 43818141
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-3-methylbutyl]-4-prop-2-enylpiperazine
CID 23969575
1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7206217
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1449129
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 6602667
1-[(R)-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7397481

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine (CID 3210562) is 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine is CCC(c1nnnn1CCc1ccc(OC)c(OC)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
The InChIKey is QICHMQBYILQHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-21(29-16-14-28(15-17-29)20-8-6-5-7-9-20)24-25-26-27-30(24)13-12-19-10-11-22(31-2)23(18-19)32-3/h5-11,18,21H,4,12-17H2,1-3H3.
What are the key properties of 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine has a molecular weight of 436.56 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine is sourced from PubChem (CID 3210562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).