1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate

C11H21ClN2O4 — CID 158470488

IUPAC1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate
SMILESCCN1CC[N+](=C2CCCC2)CC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H21N2.ClHO4/c1-2-12-7-9-13(10-8-12)11-5-3-4-6-11;2-1(3,4)5/h2-10H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyHGHCAWIBKINPKP-UHFFFAOYSA-M
MW280.75 g/mol
LogP-3.41
Rot. Bonds1

About 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate

1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate (PubChem CID 158470488) has the molecular formula C11H21ClN2O4 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate.

Molecular Properties

Compound Name1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate
PubChem CID158470488
Molecular FormulaC11H21ClN2O4
Molecular Weight280.75 g/mol
Exact Mass280.12
IUPAC Name1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate
SMILESCCN1CC[N+](=C2CCCC2)CC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H21N2.ClHO4/c1-2-12-7-9-13(10-8-12)11-5-3-4-6-11;2-1(3,4)5/h2-10H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyHGHCAWIBKINPKP-UHFFFAOYSA-M
XLogP-3.41
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 5-3.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate?
The IUPAC name of 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate (CID 158470488) is 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate.
What is the SMILES notation for 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate?
The canonical SMILES for 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate is CCN1CC[N+](=C2CCCC2)CC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate?
The InChIKey is HGHCAWIBKINPKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21N2.ClHO4/c1-2-12-7-9-13(10-8-12)11-5-3-4-6-11;2-1(3,4)5/h2-10H2,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate?
1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate has a molecular weight of 280.75 g/mol, XLogP of -3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylidene-4-ethylpiperazin-1-ium perchlorate is sourced from PubChem (CID 158470488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).