5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine

C16H32N2O — CID 64940437

IUPAC5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C1CCCOC1
InChIInChI=1S/C16H32N2O/c1-12(2)14-9-17-15(16(3,4)5)10-18(14)13-7-6-8-19-11-13/h12-15,17H,6-11H2,1-5H3
InChIKeyFINDRWAPNXOUSC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds2

About 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine

5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine (PubChem CID 64940437) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
PubChem CID64940437
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C1CCCOC1
InChIInChI=1S/C16H32N2O/c1-12(2)14-9-17-15(16(3,4)5)10-18(14)13-7-6-8-19-11-13/h12-15,17H,6-11H2,1-5H3
InChIKeyFINDRWAPNXOUSC-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxan-3-yl)piperazine
CID 57586038
N-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)ethanamine
CID 75443090
Propylpiperazinyl-ethyl ether
CID 129817227
N-ethyl-N-(tetrahydro-2H-pyran-4-ylmethyl)piperidin-3-amine
CID 56714901
3,5-Dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 57856226
(2S,5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 59333972
2,5-Dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 64845663
2-methyl-1-(tetrahydro-2H-pyran-3-yl)piperazine
CID 64931525
(2R,5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 67491633
(5S)-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 71070375
1-[1-(Oxan-4-yl)ethyl]piperazine
CID 83559696
(3S)-3-methyl-1-[(oxan-4-yl)methyl]piperazine
CID 103885735

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine (CID 64940437) is 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1C1CCCOC1.
What is the InChIKey of 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
The InChIKey is FINDRWAPNXOUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)14-9-17-15(16(3,4)5)10-18(14)13-7-6-8-19-11-13/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64940437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).