1-benzyl-4-cyclopentylpiperazine-1,4-diium

C16H26N2+2 — CID 7108959

IUPAC1-benzyl-4-cyclopentylpiperazine-1,4-diium
SMILESc1ccc(C[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-10-12-18(13-11-17)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2/p+2
InChIKeyIMSFJZTXXYGAIE-UHFFFAOYSA-P
MW246.40 g/mol
LogP-0.09
Rot. Bonds3

About 1-benzyl-4-cyclopentylpiperazine-1,4-diium

1-benzyl-4-cyclopentylpiperazine-1,4-diium (PubChem CID 7108959) has the molecular formula C16H26N2+2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-4-cyclopentylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-benzyl-4-cyclopentylpiperazine-1,4-diium
PubChem CID7108959
Molecular FormulaC16H26N2+2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-4-cyclopentylpiperazine-1,4-diium
SMILESc1ccc(C[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-10-12-18(13-11-17)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2/p+2
InChIKeyIMSFJZTXXYGAIE-UHFFFAOYSA-P
XLogP-0.09
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopentyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium
CID 4742397
1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 6982157
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine-1,4-diium
CID 7445801
1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium
CID 4584207
1-benzyl-4-[(1R,3R)-3-methylcyclopentyl]piperazine-1,4-diium
CID 6937897
1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774
1-cyclopentyl-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium
CID 4743109
1-[(2-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium
CID 2055176
1-benzyl-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 7445786
2-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 3526276
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclopentylpiperazine-1,4-diium?
The IUPAC name of 1-benzyl-4-cyclopentylpiperazine-1,4-diium (CID 7108959) is 1-benzyl-4-cyclopentylpiperazine-1,4-diium.
What is the SMILES notation for 1-benzyl-4-cyclopentylpiperazine-1,4-diium?
The canonical SMILES for 1-benzyl-4-cyclopentylpiperazine-1,4-diium is c1ccc(C[NH+]2CC[NH+](C3CCCC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-cyclopentylpiperazine-1,4-diium?
The InChIKey is IMSFJZTXXYGAIE-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-17-10-12-18(13-11-17)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2/p+2.
What are the key properties of 1-benzyl-4-cyclopentylpiperazine-1,4-diium?
1-benzyl-4-cyclopentylpiperazine-1,4-diium has a molecular weight of 246.40 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclopentylpiperazine-1,4-diium is sourced from PubChem (CID 7108959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).