4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine

C20H36N4 — CID 45169566

IUPAC4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
SMILESCCn1ccnc1CN1CCC(C2CCN(CC(C)(C)C)C2)CC1
InChIInChI=1S/C20H36N4/c1-5-24-13-9-21-19(24)15-22-10-6-17(7-11-22)18-8-12-23(14-18)16-20(2,3)4/h9,13,17-18H,5-8,10-12,14-16H2,1-4H3
InChIKeyJLWSICKMARLLOP-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.48
Rot. Bonds5

About 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine

4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine (PubChem CID 45169566) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
PubChem CID45169566
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC Name4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
SMILESCCn1ccnc1CN1CCC(C2CCN(CC(C)(C)C)C2)CC1
InChIInChI=1S/C20H36N4/c1-5-24-13-9-21-19(24)15-22-10-6-17(7-11-22)18-8-12-23(14-18)16-20(2,3)4/h9,13,17-18H,5-8,10-12,14-16H2,1-4H3
InChIKeyJLWSICKMARLLOP-UHFFFAOYSA-N
XLogP3.48
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine (CID 45169566) is 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine is CCn1ccnc1CN1CCC(C2CCN(CC(C)(C)C)C2)CC1.
What is the InChIKey of 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine?
The InChIKey is JLWSICKMARLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4/c1-5-24-13-9-21-19(24)15-22-10-6-17(7-11-22)18-8-12-23(14-18)16-20(2,3)4/h9,13,17-18H,5-8,10-12,14-16H2,1-4H3.
What are the key properties of 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine?
4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine has a molecular weight of 332.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 45169566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).