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

C14H29N3 — CID 166788258

IUPAC1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
SMILESCC(C)(C)CCN1CC(CN2CCNCC2)C1
InChIInChI=1S/C14H29N3/c1-14(2,3)4-7-17-11-13(12-17)10-16-8-5-15-6-9-16/h13,15H,4-12H2,1-3H3
InChIKeyHCGHUQRPOMELRO-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.26
Rot. Bonds4

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

1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine (PubChem CID 166788258) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
PubChem CID166788258
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
SMILESCC(C)(C)CCN1CC(CN2CCNCC2)C1
InChIInChI=1S/C14H29N3/c1-14(2,3)4-7-17-11-13(12-17)10-16-8-5-15-6-9-16/h13,15H,4-12H2,1-3H3
InChIKeyHCGHUQRPOMELRO-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
CID 166788259
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane
CID 142386268
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine (CID 166788258) is 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine is CC(C)(C)CCN1CC(CN2CCNCC2)C1.
What is the InChIKey of 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine?
The InChIKey is HCGHUQRPOMELRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,3)4-7-17-11-13(12-17)10-16-8-5-15-6-9-16/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine?
1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine is sourced from PubChem (CID 166788258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).