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

C24H30N6O2 — CID 653553

IUPAC1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-31-21-11-9-19(10-12-21)23(24-25-26-27-30(24)18-22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
InChIKeyDDCCHXQTCXVBKY-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.77
Rot. Bonds7

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

1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 653553) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID653553
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-31-21-11-9-19(10-12-21)23(24-25-26-27-30(24)18-22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
InChIKeyDDCCHXQTCXVBKY-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 653553) is 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is DDCCHXQTCXVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-31-21-11-9-19(10-12-21)23(24-25-26-27-30(24)18-22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[(4-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-[(4-methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 653553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).