[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine

C40H84N8O4 — CID 158076857

IUPAC[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1
InChIInChI=1S/C13H27N3O.C9H18N2O.C9H20N2.C9H19NO2/c1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)10-4-5-12-7-8(10)6-11/h11-12H,6-10H2,1-5H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3/t12-;;;8-/m1..1/s1
InChIKeyFMMAHCKBKAMOGZ-ILBBVLRBSA-N
MW741.16 g/mol
LogP2.62
Rot. Bonds6

About [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine

[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine (PubChem CID 158076857) has the molecular formula C40H84N8O4 and a molecular weight of 741.16 g/mol. Its IUPAC name is [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine.

Molecular Properties

Compound Name[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine
PubChem CID158076857
Molecular FormulaC40H84N8O4
Molecular Weight741.16 g/mol
Exact Mass740.66
IUPAC Name[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1
InChIInChI=1S/C13H27N3O.C9H18N2O.C9H20N2.C9H19NO2/c1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)10-4-5-12-7-8(10)6-11/h11-12H,6-10H2,1-5H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3/t12-;;;8-/m1..1/s1
InChIKeyFMMAHCKBKAMOGZ-ILBBVLRBSA-N
XLogP2.62
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.16
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine?
The IUPAC name of [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine (CID 158076857) is [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine.
What is the SMILES notation for [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine?
The canonical SMILES for [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine is CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCOC[C@H]1CO.CC(C)CN1CCN(CC(=O)N(C)C)[C@H](C)C1.
What is the InChIKey of [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine?
The InChIKey is FMMAHCKBKAMOGZ-ILBBVLRBSA-N. The full InChI is InChI=1S/C13H27N3O.C9H18N2O.C9H20N2.C9H19NO2/c1-11(2)8-15-6-7-16(12(3)9-15)10-13(17)14(4)5;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)10-4-5-12-7-8(10)6-11/h11-12H,6-10H2,1-5H3;10H,4-7H2,1-3H3;10H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3/t12-;;;8-/m1..1/s1.
What are the key properties of [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine?
[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine has a molecular weight of 741.16 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperazine is sourced from PubChem (CID 158076857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).