1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine

C20H22F2N6 — CID 3209891

IUPAC1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2F)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N6/c1-26-10-12-27(13-11-26)19(17-4-2-3-5-18(17)22)20-23-24-25-28(20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3
InChIKeyAOMNEHHJJYOWGF-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.34
Rot. Bonds5

About 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine

1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine (PubChem CID 3209891) has the molecular formula C20H22F2N6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
PubChem CID3209891
Molecular FormulaC20H22F2N6
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2F)c2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N6/c1-26-10-12-27(13-11-26)19(17-4-2-3-5-18(17)22)20-23-24-25-28(20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3
InChIKeyAOMNEHHJJYOWGF-UHFFFAOYSA-N
XLogP2.34
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446661
1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446363
1-[(S)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446365
1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 855592
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-[(S)-(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7383122
1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210017
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 3209809
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 1446512
1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
CID 3201583
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
CID 1433407

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine (CID 3209891) is 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine is CN1CCN(C(c2ccccc2F)c2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine?
The InChIKey is AOMNEHHJJYOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6/c1-26-10-12-27(13-11-26)19(17-4-2-3-5-18(17)22)20-23-24-25-28(20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine?
1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine has a molecular weight of 384.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 3209891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).