1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium

C18H27ClN6+2 — CID 7383139

IUPAC1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+]([C@H](c2ccc(Cl)cc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C18H25ClN6/c1-23-10-12-24(13-11-23)17(14-6-8-15(19)9-7-14)18-20-21-22-25(18)16-4-2-3-5-16/h6-9,16-17H,2-5,10-13H2,1H3/p+2/t17-/m1/s1
InChIKeyLVJGEQKPAMZULG-QGZVFWFLSA-P
MW362.91 g/mol
LogP-0.06
Rot. Bonds4

About 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium

1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium (PubChem CID 7383139) has the molecular formula C18H27ClN6+2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
PubChem CID7383139
Molecular FormulaC18H27ClN6+2
Molecular Weight362.91 g/mol
Exact Mass362.20
IUPAC Name1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+]([C@H](c2ccc(Cl)cc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C18H25ClN6/c1-23-10-12-24(13-11-23)17(14-6-8-15(19)9-7-14)18-20-21-22-25(18)16-4-2-3-5-16/h6-9,16-17H,2-5,10-13H2,1H3/p+2/t17-/m1/s1
InChIKeyLVJGEQKPAMZULG-QGZVFWFLSA-P
XLogP-0.06
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium with MolForge

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Related Compounds

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
4-[(R)-(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7140869
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383686
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7383880
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382839
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium (CID 7383139) is 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium is C[NH+]1CC[NH+]([C@H](c2ccc(Cl)cc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium?
The InChIKey is LVJGEQKPAMZULG-QGZVFWFLSA-P. The full InChI is InChI=1S/C18H25ClN6/c1-23-10-12-24(13-11-23)17(14-6-8-15(19)9-7-14)18-20-21-22-25(18)16-4-2-3-5-16/h6-9,16-17H,2-5,10-13H2,1H3/p+2/t17-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium?
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium has a molecular weight of 362.91 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 7383139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).