1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C18H19FN6O — CID 133315794

IUPAC1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1cc(F)ccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H19FN6O/c1-26-17-13-14(19)7-8-16(17)23-9-11-24(12-10-23)18-20-21-22-25(18)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyDKUCCQKVDNBNSG-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 133315794) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID133315794
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1cc(F)ccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H19FN6O/c1-26-17-13-14(19)7-8-16(17)23-9-11-24(12-10-23)18-20-21-22-25(18)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyDKUCCQKVDNBNSG-UHFFFAOYSA-N
XLogP2.14
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2419802
5-(4-Fluorophenoxy)-1-phenyltetrazole
CID 713745
N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 1455276
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 6603051
1-(2-Methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-YL)benzenesulfonyl]piperazine
CID 16013879
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
CID 53300960
1-[4-[4-(1-Phenyltetrazol-5-yl)oxyphenyl]piperazin-1-yl]ethanone
CID 2541756
1-[(4-Fluoro-phenyl)-(1-isopropyl-1H-tetrazol-5-yl)-methyl]-4-(2-methoxy-phenyl)-piperazine
CID 648618
2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
CID 1439460
1-(2-Methoxy-phenyl)-4-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 6603638
US9605007, Example 74
CID 69269795
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 2540565

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 133315794) is 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is COc1cc(F)ccc1N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is DKUCCQKVDNBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-26-17-13-14(19)7-8-16(17)23-9-11-24(12-10-23)18-20-21-22-25(18)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 354.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 133315794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).