1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine

C13H27N3O — CID 112590921

IUPAC1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
SMILESCC(C)(C)OCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H27N3O/c1-13(2,3)17-9-8-15-10-12(11-15)16-6-4-14-5-7-16/h12,14H,4-11H2,1-3H3
InChIKeyJMYHYFGKCQLIGW-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds4

About 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine

1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine (PubChem CID 112590921) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
PubChem CID112590921
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine
SMILESCC(C)(C)OCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H27N3O/c1-13(2,3)17-9-8-15-10-12(11-15)16-6-4-14-5-7-16/h12,14H,4-11H2,1-3H3
InChIKeyJMYHYFGKCQLIGW-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-piperazin-1-ylazetidin-1-yl)ethoxy]ethanol
CID 66197330
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
CID 166004662
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
3-(3,3-dimethylbutyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 139545749
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
CID 146606048
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
CID 146339853

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine (CID 112590921) is 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine is CC(C)(C)OCCN1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine?
The InChIKey is JMYHYFGKCQLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)17-9-8-15-10-12(11-15)16-6-4-14-5-7-16/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine?
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 112590921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).