1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium

C23H24FN6O+ — CID 7389479

IUPAC1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
SMILESFc1ccc([C@H](c2nnnn2Cc2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H23FN6O/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20/h1-11,16,22H,12-15,17H2/p+1/t22-/m1/s1
InChIKeyCZBFSUKUAABUAD-JOCHJYFZSA-O
MW419.48 g/mol
LogP1.95
Rot. Bonds6

About 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium

1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium (PubChem CID 7389479) has the molecular formula C23H24FN6O+ and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
PubChem CID7389479
Molecular FormulaC23H24FN6O+
Molecular Weight419.48 g/mol
Exact Mass419.20
IUPAC Name1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
SMILESFc1ccc([C@H](c2nnnn2Cc2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H23FN6O/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20/h1-11,16,22H,12-15,17H2/p+1/t22-/m1/s1
InChIKeyCZBFSUKUAABUAD-JOCHJYFZSA-O
XLogP1.95
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperazin-4-ium
CID 7389357
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210126
1-(4-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 1447118
1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7389362
1-(4-fluorophenyl)-4-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 1447272
1-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3210085
1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447045
1-[(R)-(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7396883
1-[(S)-(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1447390
1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7389350
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 7384096
1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 1447239

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium (CID 7389479) is 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium is Fc1ccc([C@H](c2nnnn2Cc2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium?
The InChIKey is CZBFSUKUAABUAD-JOCHJYFZSA-O. The full InChI is InChI=1S/C23H23FN6O/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20/h1-11,16,22H,12-15,17H2/p+1/t22-/m1/s1.
What are the key properties of 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium?
1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium has a molecular weight of 419.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 7389479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).