1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

C24H30N6O2 — CID 3209579

IUPAC1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccccc1C(c1nnnn1CC1CCCO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N6O2/c1-31-22-12-6-5-11-21(22)23(24-25-26-27-30(24)18-20-10-7-17-32-20)29-15-13-28(14-16-29)19-8-3-2-4-9-19/h2-6,8-9,11-12,20,23H,7,10,13-18H2,1H3
InChIKeyDIXMDGZTLPNOCY-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.77
Rot. Bonds7

About 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 3209579) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID3209579
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccccc1C(c1nnnn1CC1CCCO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N6O2/c1-31-22-12-6-5-11-21(22)23(24-25-26-27-30(24)18-20-10-7-17-32-20)29-15-13-28(14-16-29)19-8-3-2-4-9-19/h2-6,8-9,11-12,20,23H,7,10,13-18H2,1H3
InChIKeyDIXMDGZTLPNOCY-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
(2S,3S)-3-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
CID 122182822
1-[(2,3-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 650046
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 649079
1-{(2,4-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 649413
3-({(2-Methoxy-benzyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-ylmethyl]-amino}-methyl)-6-methyl-1H-quinolin-2-one
CID 650711
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 650880
1-[(3,4-Dimethoxyphenyl)-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2,3-dihydroindole
CID 651316
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 3209579) is 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is COc1ccccc1C(c1nnnn1CC1CCCO1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is DIXMDGZTLPNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-31-22-12-6-5-11-21(22)23(24-25-26-27-30(24)18-20-10-7-17-32-20)29-15-13-28(14-16-29)19-8-3-2-4-9-19/h2-6,8-9,11-12,20,23H,7,10,13-18H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine has a molecular weight of 434.54 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 3209579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).