4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol

C21H26N6O — CID 3201744

IUPAC4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol
SMILESCN1CCN(C(c2ccc(O)cc2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C21H26N6O/c1-25-13-15-26(16-14-25)20(18-7-9-19(28)10-8-18)21-22-23-24-27(21)12-11-17-5-3-2-4-6-17/h2-10,20,28H,11-16H2,1H3
InChIKeyQZOQBYAUOMQFDN-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.96
Rot. Bonds6

About 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol

4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol (PubChem CID 3201744) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol
PubChem CID3201744
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol
SMILESCN1CCN(C(c2ccc(O)cc2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C21H26N6O/c1-25-13-15-26(16-14-25)20(18-7-9-19(28)10-8-18)21-22-23-24-27(21)12-11-17-5-3-2-4-6-17/h2-10,20,28H,11-16H2,1H3
InChIKeyQZOQBYAUOMQFDN-UHFFFAOYSA-N
XLogP1.96
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol (CID 3201744) is 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol is CN1CCN(C(c2ccc(O)cc2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol?
The InChIKey is QZOQBYAUOMQFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-13-15-26(16-14-25)20(18-7-9-19(28)10-8-18)21-22-23-24-27(21)12-11-17-5-3-2-4-6-17/h2-10,20,28H,11-16H2,1H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol?
4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol has a molecular weight of 378.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]phenol is sourced from PubChem (CID 3201744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).