1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine

C27H29FN6 — CID 155530123

IUPAC1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29FN6/c28-24-14-7-8-15-25(24)33-20-18-32(19-21-33)16-9-17-34-27(29-30-31-34)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2
InChIKeyPSZWLEINTJQHBE-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.20
Rot. Bonds8

About 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine

1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine (PubChem CID 155530123) has the molecular formula C27H29FN6 and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine
PubChem CID155530123
Molecular FormulaC27H29FN6
Molecular Weight456.57 g/mol
Exact Mass456.24
IUPAC Name1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29FN6/c28-24-14-7-8-15-25(24)33-20-18-32(19-21-33)16-9-17-34-27(29-30-31-34)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2
InChIKeyPSZWLEINTJQHBE-UHFFFAOYSA-N
XLogP4.20
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-benzylpiperazine
CID 137656433
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
1-[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-(4-fluoro-phenyl)-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193472
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclohexylpiperazine
CID 3209694

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine (CID 155530123) is 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is PSZWLEINTJQHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6/c28-24-14-7-8-15-25(24)33-20-18-32(19-21-33)16-9-17-34-27(29-30-31-34)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2.
What are the key properties of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine?
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 456.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 155530123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).