1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine

C10H20N3+ — CID 59325851

IUPAC1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine
SMILESCN1CC[N+](C)=C1N1CCCCC1
InChIInChI=1S/C10H20N3/c1-11-8-9-12(2)10(11)13-6-4-3-5-7-13/h3-9H2,1-2H3/q+1
InChIKeySSCSHVPOFSHIHU-UHFFFAOYSA-N
MW182.29 g/mol
LogP0.42
Rot. Bonds

About 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine

1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine (PubChem CID 59325851) has the molecular formula C10H20N3+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine.

Molecular Properties

Compound Name1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine
PubChem CID59325851
Molecular FormulaC10H20N3+
Molecular Weight182.29 g/mol
Exact Mass182.17
IUPAC Name1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine
SMILESCN1CC[N+](C)=C1N1CCCCC1
InChIInChI=1S/C10H20N3/c1-11-8-9-12(2)10(11)13-6-4-3-5-7-13/h3-9H2,1-2H3/q+1
InChIKeySSCSHVPOFSHIHU-UHFFFAOYSA-N
XLogP0.42
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine?
The IUPAC name of 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine (CID 59325851) is 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine.
What is the SMILES notation for 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine?
The canonical SMILES for 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine is CN1CC[N+](C)=C1N1CCCCC1.
What is the InChIKey of 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine?
The InChIKey is SSCSHVPOFSHIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N3/c1-11-8-9-12(2)10(11)13-6-4-3-5-7-13/h3-9H2,1-2H3/q+1.
What are the key properties of 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine?
1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine has a molecular weight of 182.29 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)piperidine is sourced from PubChem (CID 59325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).