2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine

C12H22N2 — CID 15020433

IUPAC2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine
SMILESCC1(C)CCCNC1CN1CC=CC1
InChIInChI=1S/C12H22N2/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14/h3-4,11,13H,5-10H2,1-2H3
InChIKeyXJCIREGSPHNQBN-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds2

About 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine

2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine (PubChem CID 15020433) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine
PubChem CID15020433
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine
SMILESCC1(C)CCCNC1CN1CC=CC1
InChIInChI=1S/C12H22N2/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14/h3-4,11,13H,5-10H2,1-2H3
InChIKeyXJCIREGSPHNQBN-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine 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 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine?
The IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine (CID 15020433) is 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine is CC1(C)CCCNC1CN1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine?
The InChIKey is XJCIREGSPHNQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(2)6-5-7-13-11(12)10-14-8-3-4-9-14/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine?
2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-ylmethyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 15020433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).