2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine

C47H107N5O — CID 157239857

IUPAC2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine
SMILESC.C.C.C.CC(C)C1CCN(C(C)C)C(C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)CCO1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N.C11H23N.C10H22N2.C10H21NO.4CH4/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-11(9(3)4)5-6-12-10;;;;/h9-12H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4*1H4
InChIKeyAVBSZDLSRDBLGG-UHFFFAOYSA-N
MW758.41 g/mol
LogP11.63
Rot. Bonds8

About 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine

2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine (PubChem CID 157239857) has the molecular formula C47H107N5O and a molecular weight of 758.41 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine
PubChem CID157239857
Molecular FormulaC47H107N5O
Molecular Weight758.41 g/mol
Exact Mass757.85
IUPAC Name2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine
SMILESC.C.C.C.CC(C)C1CCN(C(C)C)C(C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)CCO1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N.C11H23N.C10H22N2.C10H21NO.4CH4/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-11(9(3)4)5-6-12-10;;;;/h9-12H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4*1H4
InChIKeyAVBSZDLSRDBLGG-UHFFFAOYSA-N
XLogP11.63
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.41
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine?
The IUPAC name of 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine (CID 157239857) is 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine is C.C.C.C.CC(C)C1CCN(C(C)C)C(C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)CCO1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine?
The InChIKey is AVBSZDLSRDBLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C11H23N.C10H22N2.C10H21NO.4CH4/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-7-11(9(3)4)5-6-12-10;;;;/h9-12H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4*1H4.
What are the key properties of 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine?
2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 758.41 g/mol, XLogP of 11.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 157239857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).