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

C22H34ClFN6 — CID 6602546

IUPAC1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.Cl
InChIInChI=1S/C22H33FN6.ClH/c1-2-6-21(28-15-13-27(14-16-28)20-7-4-3-5-8-20)22-24-25-26-29(22)17-18-9-11-19(23)12-10-18;/h9-12,20-21H,2-8,13-17H2,1H3;1H
InChIKeySFLZQGUPTCBCLR-UHFFFAOYSA-N
MW437.01 g/mol
LogP4.07
Rot. Bonds7

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

1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride (PubChem CID 6602546) has the molecular formula C22H34ClFN6 and a molecular weight of 437.01 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride
PubChem CID6602546
Molecular FormulaC22H34ClFN6
Molecular Weight437.01 g/mol
Exact Mass436.25
IUPAC Name1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.Cl
InChIInChI=1S/C22H33FN6.ClH/c1-2-6-21(28-15-13-27(14-16-28)20-7-4-3-5-8-20)22-24-25-26-29(22)17-18-9-11-19(23)12-10-18;/h9-12,20-21H,2-8,13-17H2,1H3;1H
InChIKeySFLZQGUPTCBCLR-UHFFFAOYSA-N
XLogP4.07
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.07
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
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-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
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-(4-(5-Benzhydryl-1H-tetrazol-1-yl)butyl)-4-(3-phenylpropyl)piperazine
CID 137645602

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride (CID 6602546) is 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride is CCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.Cl.
What is the InChIKey of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride?
The InChIKey is SFLZQGUPTCBCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN6.ClH/c1-2-6-21(28-15-13-27(14-16-28)20-7-4-3-5-8-20)22-24-25-26-29(22)17-18-9-11-19(23)12-10-18;/h9-12,20-21H,2-8,13-17H2,1H3;1H.
What are the key properties of 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride?
1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride has a molecular weight of 437.01 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine;hydrochloride is sourced from PubChem (CID 6602546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).