1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine

C14H29N3 — CID 79677755

IUPAC1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
SMILESCC(C)(C)C1CN(CCCN2CCNCC2)C1
InChIInChI=1S/C14H29N3/c1-14(2,3)13-11-17(12-13)8-4-7-16-9-5-15-6-10-16/h13,15H,4-12H2,1-3H3
InChIKeySYGSSCADRJJNTK-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.26
Rot. Bonds4

About 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine

1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine (PubChem CID 79677755) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
PubChem CID79677755
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
SMILESCC(C)(C)C1CN(CCCN2CCNCC2)C1
InChIInChI=1S/C14H29N3/c1-14(2,3)13-11-17(12-13)8-4-7-16-9-5-15-6-10-16/h13,15H,4-12H2,1-3H3
InChIKeySYGSSCADRJJNTK-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-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
3-tert-butyl-1-heptylazetidine
CID 157310046
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
3-tert-butyl-1-propylazetidine
CID 134337419
1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
CID 166788259
1-tricosylpiperazine
CID 130183651
3-tert-butyl-1-(3-methylbutyl)azetidine
CID 164785382
1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
CID 166788258
1-(8-methylnonyl)piperazine
CID 170614920
4-methyl-1-(3-piperazin-1-ylpropyl)imidazolidin-2-one
CID 116980787

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine?
The IUPAC name of 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine (CID 79677755) is 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine is CC(C)(C)C1CN(CCCN2CCNCC2)C1.
What is the InChIKey of 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine?
The InChIKey is SYGSSCADRJJNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,3)13-11-17(12-13)8-4-7-16-9-5-15-6-10-16/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine?
1-[3-(3-tert-butylazetidin-1-yl)propyl]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-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine is sourced from PubChem (CID 79677755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).