4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine

C20H40N2 — CID 167213975

IUPAC4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine
SMILESCCC1(C(C)(C)C)CCN(CC(C)(C)CC2CN(C)C2)CC1
InChIInChI=1S/C20H40N2/c1-8-20(18(2,3)4)9-11-22(12-10-20)16-19(5,6)13-17-14-21(7)15-17/h17H,8-16H2,1-7H3
InChIKeyRZJZXGBXEHPFFP-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds5

About 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine

4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine (PubChem CID 167213975) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine
PubChem CID167213975
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine
SMILESCCC1(C(C)(C)C)CCN(CC(C)(C)CC2CN(C)C2)CC1
InChIInChI=1S/C20H40N2/c1-8-20(18(2,3)4)9-11-22(12-10-20)16-19(5,6)13-17-14-21(7)15-17/h17H,8-16H2,1-7H3
InChIKeyRZJZXGBXEHPFFP-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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Related Compounds

4-tert-butyl-1,4-diethylpiperidine
CID 122664542
1-tert-butyl-1-ethylcyclopropane
CID 58798513
4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
1-(2,2-dimethylbutyl)-4-methylpiperidin-4-amine;hydrochloride
CID 130762964
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-2-ol
CID 63159462
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 62257753
7-(2-ethyl-2-methylpentyl)-2-[(4-methylpiperazin-1-yl)methyl]-7-azaspiro[3.5]nonane
CID 171656917
1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine
CID 129035384
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63159863
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 63159907

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine?
The IUPAC name of 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine (CID 167213975) is 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine?
The canonical SMILES for 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine is CCC1(C(C)(C)C)CCN(CC(C)(C)CC2CN(C)C2)CC1.
What is the InChIKey of 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine?
The InChIKey is RZJZXGBXEHPFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-8-20(18(2,3)4)9-11-22(12-10-20)16-19(5,6)13-17-14-21(7)15-17/h17H,8-16H2,1-7H3.
What are the key properties of 4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine?
4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-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-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine is sourced from PubChem (CID 167213975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).