4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine

C20H40N2 — CID 129267386

IUPAC4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine
SMILESCCN1CCC(C(C)(C)CC2C(CC(C)(C)C)CN2C)CC1
InChIInChI=1S/C20H40N2/c1-8-22-11-9-17(10-12-22)20(5,6)14-18-16(15-21(18)7)13-19(2,3)4/h16-18H,8-15H2,1-7H3
InChIKeyHSCPODRWWGVEJU-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds5

About 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine

4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine (PubChem CID 129267386) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine.

Molecular Properties

Compound Name4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine
PubChem CID129267386
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine
SMILESCCN1CCC(C(C)(C)CC2C(CC(C)(C)C)CN2C)CC1
InChIInChI=1S/C20H40N2/c1-8-22-11-9-17(10-12-22)20(5,6)14-18-16(15-21(18)7)13-19(2,3)4/h16-18H,8-15H2,1-7H3
InChIKeyHSCPODRWWGVEJU-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine?
The IUPAC name of 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine (CID 129267386) is 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine.
What is the SMILES notation for 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine?
The canonical SMILES for 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine is CCN1CCC(C(C)(C)CC2C(CC(C)(C)C)CN2C)CC1.
What is the InChIKey of 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine?
The InChIKey is HSCPODRWWGVEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-8-22-11-9-17(10-12-22)20(5,6)14-18-16(15-21(18)7)13-19(2,3)4/h16-18H,8-15H2,1-7H3.
What are the key properties of 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine?
4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2,2-dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine is sourced from PubChem (CID 129267386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).