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

C14H28N6+2 — CID 7383708

IUPAC1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C1CCCC1)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C14H26N6/c1-3-13(19-10-8-18(2)9-11-19)14-15-16-17-20(14)12-6-4-5-7-12/h12-13H,3-11H2,1-2H3/p+2/t13-/m1/s1
InChIKeyLOAZPRIAAGVZHG-CYBMUJFWSA-P
MW280.42 g/mol
LogP-1.35
Rot. Bonds4

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

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium (PubChem CID 7383708) has the molecular formula C14H28N6+2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium
PubChem CID7383708
Molecular FormulaC14H28N6+2
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium
SMILESCC[C@H](c1nnnn1C1CCCC1)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C14H26N6/c1-3-13(19-10-8-18(2)9-11-19)14-15-16-17-20(14)12-6-4-5-7-12/h12-13H,3-11H2,1-2H3/p+2/t13-/m1/s1
InChIKeyLOAZPRIAAGVZHG-CYBMUJFWSA-P
XLogP-1.35
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium (CID 7383708) is 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium is CC[C@H](c1nnnn1C1CCCC1)[NH+]1CC[NH+](C)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium?
The InChIKey is LOAZPRIAAGVZHG-CYBMUJFWSA-P. The full InChI is InChI=1S/C14H26N6/c1-3-13(19-10-8-18(2)9-11-19)14-15-16-17-20(14)12-6-4-5-7-12/h12-13H,3-11H2,1-2H3/p+2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium?
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium has a molecular weight of 280.42 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 7383708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).