1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine

C45H95N7O3 — CID 158040179

IUPAC1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)C1CCOCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2COC2)CC1.CC(C)N1CCOCC1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C10H20N2O.2C10H22N2.C8H16O.C7H15NO/c1-9(2)11-3-5-12(6-4-11)10-7-13-8-10;1-8(2)12-6-9(3)11(5)10(4)7-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)8-3-5-9-6-4-8/h9-10H,3-8H2,1-2H3;8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;9-,10+;;;
InChIKeyFIGIMXDMZNSDRO-GBVANTOISA-N
MW782.30 g/mol
LogP6.05
Rot. Bonds7

About 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine

1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine (PubChem CID 158040179) has the molecular formula C45H95N7O3 and a molecular weight of 782.30 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
PubChem CID158040179
Molecular FormulaC45H95N7O3
Molecular Weight782.30 g/mol
Exact Mass781.75
IUPAC Name1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)C1CCOCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2COC2)CC1.CC(C)N1CCOCC1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C10H20N2O.2C10H22N2.C8H16O.C7H15NO/c1-9(2)11-3-5-12(6-4-11)10-7-13-8-10;1-8(2)12-6-9(3)11(5)10(4)7-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)8-3-5-9-6-4-8/h9-10H,3-8H2,1-2H3;8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;9-,10+;;;
InChIKeyFIGIMXDMZNSDRO-GBVANTOISA-N
XLogP6.05
TPSA50.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.30
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The IUPAC name of 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine (CID 158040179) is 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine is CC(C)C1CCOCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2COC2)CC1.CC(C)N1CCOCC1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.
What is the InChIKey of 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
The InChIKey is FIGIMXDMZNSDRO-GBVANTOISA-N. The full InChI is InChI=1S/C10H20N2O.2C10H22N2.C8H16O.C7H15NO/c1-9(2)11-3-5-12(6-4-11)10-7-13-8-10;1-8(2)12-6-9(3)11(5)10(4)7-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)8-3-5-9-6-4-8/h9-10H,3-8H2,1-2H3;8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;9-,10+;;;.
What are the key properties of 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine?
1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine has a molecular weight of 782.30 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 158040179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).