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

C18H28N6+2 — CID 7383044

IUPAC1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+]([C@H](c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C18H26N6/c1-22-11-13-23(14-12-22)17(15-7-3-2-4-8-15)18-19-20-21-24(18)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3/p+2/t17-/m1/s1
InChIKeyZBADUWIKAKFHMO-QGZVFWFLSA-P
MW328.46 g/mol
LogP-0.71
Rot. Bonds4

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

1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium (PubChem CID 7383044) has the molecular formula C18H28N6+2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
PubChem CID7383044
Molecular FormulaC18H28N6+2
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+]([C@H](c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C18H26N6/c1-22-11-13-23(14-12-22)17(15-7-3-2-4-8-15)18-19-20-21-24(18)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3/p+2/t17-/m1/s1
InChIKeyZBADUWIKAKFHMO-QGZVFWFLSA-P
XLogP-0.71
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
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
4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383686
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-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazine-1,4-diium
CID 7221369
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

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium (CID 7383044) is 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium is C[NH+]1CC[NH+]([C@H](c2ccccc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium?
The InChIKey is ZBADUWIKAKFHMO-QGZVFWFLSA-P. The full InChI is InChI=1S/C18H26N6/c1-22-11-13-23(14-12-22)17(15-7-3-2-4-8-15)18-19-20-21-24(18)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3/p+2/t17-/m1/s1.
What are the key properties of 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium?
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium has a molecular weight of 328.46 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 7383044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).