1-(cyclopentylmethyl)piperazine-1,4-diium

C10H22N2+2 — CID 6955846

IUPAC1-(cyclopentylmethyl)piperazine-1,4-diium
SMILESC1CCC(C[NH+]2CC[NH2+]CC2)C1
InChIInChI=1S/C10H20N2/c1-2-4-10(3-1)9-12-7-5-11-6-8-12/h10-11H,1-9H2/p+2
InChIKeyHDSJFNAPZZCQAT-UHFFFAOYSA-P
MW170.30 g/mol
LogP-1.36
Rot. Bonds2

About 1-(cyclopentylmethyl)piperazine-1,4-diium

1-(cyclopentylmethyl)piperazine-1,4-diium (PubChem CID 6955846) has the molecular formula C10H22N2+2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-(cyclopentylmethyl)piperazine-1,4-diium
PubChem CID6955846
Molecular FormulaC10H22N2+2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(cyclopentylmethyl)piperazine-1,4-diium
SMILESC1CCC(C[NH+]2CC[NH2+]CC2)C1
InChIInChI=1S/C10H20N2/c1-2-4-10(3-1)9-12-7-5-11-6-8-12/h10-11H,1-9H2/p+2
InChIKeyHDSJFNAPZZCQAT-UHFFFAOYSA-P
XLogP-1.36
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclohexylmethyl)-3-methylpiperidin-1-ium
CID 163117074
1-(3-chlorophenyl)-4-(cyclohexylmethyl)piperazin-4-ium
CID 6938406
4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
CID 163127985
1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium
CID 4711694
1-[(3-fluorocyclohexyl)methyl]-3-methylpiperidin-1-ium
CID 163176647
cyclopentadecylmethylcyclopentadecane
CID 91804599
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide
CID 7021517
(2S)-2-(cyclohexylmethyl)pyrrolidin-1-ium
CID 51396945
1-(2-phenylethyl)-1,4-diazepane-1,4-diium
CID 7009132
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
3-iodopropylcyclopentane
CID 15508337

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)piperazine-1,4-diium?
The IUPAC name of 1-(cyclopentylmethyl)piperazine-1,4-diium (CID 6955846) is 1-(cyclopentylmethyl)piperazine-1,4-diium.
What is the SMILES notation for 1-(cyclopentylmethyl)piperazine-1,4-diium?
The canonical SMILES for 1-(cyclopentylmethyl)piperazine-1,4-diium is C1CCC(C[NH+]2CC[NH2+]CC2)C1.
What is the InChIKey of 1-(cyclopentylmethyl)piperazine-1,4-diium?
The InChIKey is HDSJFNAPZZCQAT-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H20N2/c1-2-4-10(3-1)9-12-7-5-11-6-8-12/h10-11H,1-9H2/p+2.
What are the key properties of 1-(cyclopentylmethyl)piperazine-1,4-diium?
1-(cyclopentylmethyl)piperazine-1,4-diium has a molecular weight of 170.30 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)piperazine-1,4-diium is sourced from PubChem (CID 6955846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).