1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine

C19H21FN6O — CID 9463126

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C19H21FN6O/c1-27-18-8-7-15(13-17(18)20)14-24-9-11-25(12-10-24)19-21-22-23-26(19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyGSYQEYYPQJHHKC-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.13
Rot. Bonds5

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 9463126) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID9463126
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C19H21FN6O/c1-27-18-8-7-15(13-17(18)20)14-24-9-11-25(12-10-24)19-21-22-23-26(19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyGSYQEYYPQJHHKC-UHFFFAOYSA-N
XLogP2.13
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine (CID 9463126) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine is COc1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is GSYQEYYPQJHHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-27-18-8-7-15(13-17(18)20)14-24-9-11-25(12-10-24)19-21-22-23-26(19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 368.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 9463126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).