4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol

C20H24N6O — CID 3590417

IUPAC4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN(C(c2ccc(O)cc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N6O/c1-24-11-13-25(14-12-24)19(17-7-9-18(27)10-8-17)20-21-22-23-26(20)15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3
InChIKeyMTOFHWFPTXTCNY-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.76
Rot. Bonds5

About 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol

4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 3590417) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID3590417
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN(C(c2ccc(O)cc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N6O/c1-24-11-13-25(14-12-24)19(17-7-9-18(27)10-8-17)20-21-22-23-26(20)15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3
InChIKeyMTOFHWFPTXTCNY-UHFFFAOYSA-N
XLogP1.76
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol (CID 3590417) is 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol is CN1CCN(C(c2ccc(O)cc2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is MTOFHWFPTXTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-11-13-25(14-12-24)19(17-7-9-18(27)10-8-17)20-21-22-23-26(20)15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3.
What are the key properties of 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol?
4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 364.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 3590417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).