1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine

C21H25FN6O — CID 3209271

IUPAC1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN6O/c1-29-16-15-28-21(23-24-25-28)20(17-7-3-2-4-8-17)27-13-11-26(12-14-27)19-10-6-5-9-18(19)22/h2-10,20H,11-16H2,1H3
InChIKeyZTXBFFQYKYMLME-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.37
Rot. Bonds7

About 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine

1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine (PubChem CID 3209271) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
PubChem CID3209271
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN6O/c1-29-16-15-28-21(23-24-25-28)20(17-7-3-2-4-8-17)27-13-11-26(12-14-27)19-10-6-5-9-18(19)22/h2-10,20H,11-16H2,1H3
InChIKeyZTXBFFQYKYMLME-UHFFFAOYSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)morpholine
CID 44159519
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-(2,3-Dimethyl-phenyl)-4-{phenyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazine
CID 647989
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
CID 651993
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
1-[(4-Fluoro-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-1,2,3,4-tetrahydro-quinoline
CID 3213453
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6602589

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine (CID 3209271) is 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine is COCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The InChIKey is ZTXBFFQYKYMLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-29-16-15-28-21(23-24-25-28)20(17-7-3-2-4-8-17)27-13-11-26(12-14-27)19-10-6-5-9-18(19)22/h2-10,20H,11-16H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine has a molecular weight of 396.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine is sourced from PubChem (CID 3209271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).