1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium

C17H29N2+ — CID 2307153

IUPAC1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium
SMILESCC1(C)CC(N2CCCC2)=CC(=[N+]2CCCCC2)C1
InChIInChI=1S/C17H29N2/c1-17(2)13-15(18-8-4-3-5-9-18)12-16(14-17)19-10-6-7-11-19/h12H,3-11,13-14H2,1-2H3/q+1
InChIKeyBQGWZUJISIWKHU-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.42
Rot. Bonds1

About 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium

1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium (PubChem CID 2307153) has the molecular formula C17H29N2+ and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium.

Molecular Properties

Compound Name1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium
PubChem CID2307153
Molecular FormulaC17H29N2+
Molecular Weight261.43 g/mol
Exact Mass261.23
IUPAC Name1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium
SMILESCC1(C)CC(N2CCCC2)=CC(=[N+]2CCCCC2)C1
InChIInChI=1S/C17H29N2/c1-17(2)13-15(18-8-4-3-5-9-18)12-16(14-17)19-10-6-7-11-19/h12H,3-11,13-14H2,1-2H3/q+1
InChIKeyBQGWZUJISIWKHU-UHFFFAOYSA-N
XLogP3.42
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium?
The IUPAC name of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium (CID 2307153) is 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium.
What is the SMILES notation for 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium?
The canonical SMILES for 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium is CC1(C)CC(N2CCCC2)=CC(=[N+]2CCCCC2)C1.
What is the InChIKey of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium?
The InChIKey is BQGWZUJISIWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N2/c1-17(2)13-15(18-8-4-3-5-9-18)12-16(14-17)19-10-6-7-11-19/h12H,3-11,13-14H2,1-2H3/q+1.
What are the key properties of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium?
1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium has a molecular weight of 261.43 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium is sourced from PubChem (CID 2307153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).