4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol

C20H23FN6O — CID 1433960

IUPAC4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN([C@H](c2ccc(O)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN6O/c1-25-10-12-26(13-11-25)19(16-4-8-18(28)9-5-16)20-22-23-24-27(20)14-15-2-6-17(21)7-3-15/h2-9,19,28H,10-14H2,1H3/t19-/m1/s1
InChIKeyCAEIVAMIMZBHBL-LJQANCHMSA-N
MW382.44 g/mol
LogP1.90
Rot. Bonds5

About 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol

4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 1433960) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID1433960
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCN1CCN([C@H](c2ccc(O)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN6O/c1-25-10-12-26(13-11-25)19(16-4-8-18(28)9-5-16)20-22-23-24-27(20)14-15-2-6-17(21)7-3-15/h2-9,19,28H,10-14H2,1H3/t19-/m1/s1
InChIKeyCAEIVAMIMZBHBL-LJQANCHMSA-N
XLogP1.90
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol (CID 1433960) is 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol is CN1CCN([C@H](c2ccc(O)cc2)c2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is CAEIVAMIMZBHBL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-25-10-12-26(13-11-25)19(16-4-8-18(28)9-5-16)20-22-23-24-27(20)14-15-2-6-17(21)7-3-15/h2-9,19,28H,10-14H2,1H3/t19-/m1/s1.
What are the key properties of 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 382.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 1433960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).