benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium

C21H27FN5+ — CID 7140457

IUPACbenzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium
SMILESCC[NH+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C21H26FN5/c1-4-26(14-17-8-6-5-7-9-17)20(16(2)3)21-23-24-25-27(21)15-18-10-12-19(22)13-11-18/h5-13,16,20H,4,14-15H2,1-3H3/p+1/t20-/m1/s1
InChIKeyBBVNHCGPLDMUDD-HXUWFJFHSA-O
MW368.48 g/mol
LogP2.66
Rot. Bonds8

About benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium

benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium (PubChem CID 7140457) has the molecular formula C21H27FN5+ and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium
PubChem CID7140457
Molecular FormulaC21H27FN5+
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Namebenzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium
SMILESCC[NH+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C21H26FN5/c1-4-26(14-17-8-6-5-7-9-17)20(16(2)3)21-23-24-25-27(21)15-18-10-12-19(22)13-11-18/h5-13,16,20H,4,14-15H2,1-3H3/p+1/t20-/m1/s1
InChIKeyBBVNHCGPLDMUDD-HXUWFJFHSA-O
XLogP2.66
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[(4-fluorophenyl)methyl]azanium
CID 7140978
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
benzyl-[(2-chlorophenyl)methyl]-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7140928
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
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]morpholine
CID 3823345
1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 171668014
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
CID 163754312

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium?
The IUPAC name of benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium (CID 7140457) is benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium.
What is the SMILES notation for benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium?
The canonical SMILES for benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium is CC[NH+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium?
The InChIKey is BBVNHCGPLDMUDD-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H26FN5/c1-4-26(14-17-8-6-5-7-9-17)20(16(2)3)21-23-24-25-27(21)15-18-10-12-19(22)13-11-18/h5-13,16,20H,4,14-15H2,1-3H3/p+1/t20-/m1/s1.
What are the key properties of benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium?
benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium has a molecular weight of 368.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium is sourced from PubChem (CID 7140457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).