1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium

C22H33FN6+2 — CID 7383860

IUPAC1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
SMILESFc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C22H31FN6/c23-18-11-9-17(10-12-18)21(22-24-25-26-29(22)20-7-3-4-8-20)28-15-13-27(14-16-28)19-5-1-2-6-19/h9-12,19-21H,1-8,13-16H2/p+2/t21-/m1/s1
InChIKeyUMPKSFWBTFBFRL-OAQYLSRUSA-P
MW400.55 g/mol
LogP0.74
Rot. Bonds5

About 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium

1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium (PubChem CID 7383860) has the molecular formula C22H33FN6+2 and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
PubChem CID7383860
Molecular FormulaC22H33FN6+2
Molecular Weight400.55 g/mol
Exact Mass400.27
IUPAC Name1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
SMILESFc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C22H31FN6/c23-18-11-9-17(10-12-18)21(22-24-25-26-29(22)20-7-3-4-8-20)28-15-13-27(14-16-28)19-5-1-2-6-19/h9-12,19-21H,1-8,13-16H2/p+2/t21-/m1/s1
InChIKeyUMPKSFWBTFBFRL-OAQYLSRUSA-P
XLogP0.74
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7383880
2-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7382959
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium (CID 7383860) is 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium is Fc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium?
The InChIKey is UMPKSFWBTFBFRL-OAQYLSRUSA-P. The full InChI is InChI=1S/C22H31FN6/c23-18-11-9-17(10-12-18)21(22-24-25-26-29(22)20-7-3-4-8-20)28-15-13-27(14-16-28)19-5-1-2-6-19/h9-12,19-21H,1-8,13-16H2/p+2/t21-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium has a molecular weight of 400.55 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 7383860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).