1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine

C19H27FN6 — CID 656030

IUPAC1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H27FN6/c20-17-8-6-16(7-9-17)14-26-19(21-22-23-26)15-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h6-9,18H,1-5,10-15H2
InChIKeyJRAIDRGFUMJFMZ-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.31
Rot. Bonds5

About 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine

1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 656030) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
PubChem CID656030
Molecular FormulaC19H27FN6
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC Name1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H27FN6/c20-17-8-6-16(7-9-17)14-26-19(21-22-23-26)15-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h6-9,18H,1-5,10-15H2
InChIKeyJRAIDRGFUMJFMZ-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.31
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)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
3-[(4-Benzyl-piperidin-1-yl)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrile
CID 645425
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
2-[(1-tert-Butyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-1,2,3,4-tetrahydro-isoquinoline
CID 647716
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159172
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine (CID 656030) is 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine is Fc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is JRAIDRGFUMJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6/c20-17-8-6-16(7-9-17)14-26-19(21-22-23-26)15-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h6-9,18H,1-5,10-15H2.
What are the key properties of 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 358.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 656030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).