1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine

C15H31N3 — CID 166788259

IUPAC1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
SMILESCC(C)(C)CCN1CC(CCN2CCNCC2)C1
InChIInChI=1S/C15H31N3/c1-15(2,3)5-9-18-12-14(13-18)4-8-17-10-6-16-7-11-17/h14,16H,4-13H2,1-3H3
InChIKeyYBWBTVLLJBSTEM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds5

About 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine

1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine (PubChem CID 166788259) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
PubChem CID166788259
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
SMILESCC(C)(C)CCN1CC(CCN2CCNCC2)C1
InChIInChI=1S/C15H31N3/c1-15(2,3)5-9-18-12-14(13-18)4-8-17-10-6-16-7-11-17/h14,16H,4-13H2,1-3H3
InChIKeyYBWBTVLLJBSTEM-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
CID 166788258
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 43149903

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine (CID 166788259) is 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine is CC(C)(C)CCN1CC(CCN2CCNCC2)C1.
What is the InChIKey of 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine?
The InChIKey is YBWBTVLLJBSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2,3)5-9-18-12-14(13-18)4-8-17-10-6-16-7-11-17/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine?
1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine is sourced from PubChem (CID 166788259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).