1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine

C15H31N3 — CID 146180125

IUPAC1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CN(CC(C)(C)C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-6-8-18(9-7-17)14-10-16(11-14)12-15(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyYXPFKUAEOHIAAD-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.74
Rot. Bonds3

About 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine

1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine (PubChem CID 146180125) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
PubChem CID146180125
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CN(CC(C)(C)C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-6-8-18(9-7-17)14-10-16(11-14)12-15(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyYXPFKUAEOHIAAD-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 166864352
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
1-(1-tert-butylazetidin-3-yl)-4-[4-[4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazin-1-yl]-2,4-dimethylpentan-2-yl]piperazine
CID 138657278
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol
CID 164717118
4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
CID 177072799
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
CID 135279303
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 170586111
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine (CID 146180125) is 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CN(CC(C)(C)C)C2)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine?
The InChIKey is YXPFKUAEOHIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-6-8-18(9-7-17)14-10-16(11-14)12-15(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine?
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine has a molecular weight of 253.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 146180125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).