1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium

C11H24N2+2 — CID 7448472

IUPAC1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium
SMILESC[C@@H]1CC[C@H]([NH+]2CC[NH+](C)CC2)C1
InChIInChI=1S/C11H22N2/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13/h10-11H,3-9H2,1-2H3/p+2/t10-,11+/m1/s1
InChIKeyWMUCTWTUVZDNEP-MNOVXSKESA-P
MW184.33 g/mol
LogP-1.41
Rot. Bonds1

About 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium

1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium (PubChem CID 7448472) has the molecular formula C11H24N2+2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium
PubChem CID7448472
Molecular FormulaC11H24N2+2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium
SMILESC[C@@H]1CC[C@H]([NH+]2CC[NH+](C)CC2)C1
InChIInChI=1S/C11H22N2/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13/h10-11H,3-9H2,1-2H3/p+2/t10-,11+/m1/s1
InChIKeyWMUCTWTUVZDNEP-MNOVXSKESA-P
XLogP-1.41
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium?
The IUPAC name of 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium (CID 7448472) is 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium.
What is the SMILES notation for 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium?
The canonical SMILES for 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium is C[C@@H]1CC[C@H]([NH+]2CC[NH+](C)CC2)C1.
What is the InChIKey of 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium?
The InChIKey is WMUCTWTUVZDNEP-MNOVXSKESA-P. The full InChI is InChI=1S/C11H22N2/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13/h10-11H,3-9H2,1-2H3/p+2/t10-,11+/m1/s1.
What are the key properties of 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium?
1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium has a molecular weight of 184.33 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium is sourced from PubChem (CID 7448472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).