4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane

C112H251N13O8S — CID 159805955

About 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane

4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane (PubChem CID 159805955) has the molecular formula C112H251N13O8S and a molecular weight of 1940.39 g/mol. Its IUPAC name is 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane.

Molecular Properties

• Compound Name: 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane
• PubChem CID: 159805955
• Molecular Formula: C112H251N13O8S
• Molecular Weight: 1940.39 g/mol
• Exact Mass: 1938.94
• IUPAC Name: 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane
• SMILES: CC(=O)N1CCN(CCC(C)C)CC1.CC(C)CCN1CCC(O)CC1.CC(C)CCN1CCC[C@H](O)C1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCNC(=O)C1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCN1CCS(=O)(=O)CC1.CC(C)C[C@H]1COCCN1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
• InChI: InChI=1S/C11H22N2O.C10H22N2.2C10H21NO.C9H18N2O.C9H20N2.C9H19NO2S.C9H19NO.C8H17NO.9C3H8/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-6-11-7-4-10(12)5-8-11;1-9(2)5-7-11-6-3-4-10(12)8-11;1-8(2)3-5-11-6-4-10-9(12)7-11;1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)5-8-6-10-4-3-9-8;9*1-3-2/h10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;2*9-10,12H,3-8H2,1-2H3;8H,3-7H2,1-2H3,(H,10,12);9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;9*3H2,1-2H3/t;;;10-;;;;;8-;;;;;;;;;/m...0....0........./s1
• InChIKey: NKJYTATYZNFKHA-GTYJJGRLSA-N
• XLogP: 22.75
• TPSA: 195.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.39
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane?

The IUPAC name of 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane (CID 159805955) is 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane.

What is the SMILES notation for 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane?

The canonical SMILES for 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane is CC(=O)N1CCN(CCC(C)C)CC1.CC(C)CCN1CCC(O)CC1.CC(C)CCN1CCC[C@H](O)C1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCNC(=O)C1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCN1CCS(=O)(=O)CC1.CC(C)C[C@H]1COCCN1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.

What is the InChIKey of 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane?

The InChIKey is NKJYTATYZNFKHA-GTYJJGRLSA-N. The full InChI is InChI=1S/C11H22N2O.C10H22N2.2C10H21NO.C9H18N2O.C9H20N2.C9H19NO2S.C9H19NO.C8H17NO.9C3H8/c1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-6-11-7-4-10(12)5-8-11;1-9(2)5-7-11-6-3-4-10(12)8-11;1-8(2)3-5-11-6-4-10-9(12)7-11;1-9(2)3-6-11-7-4-10-5-8-11;1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)5-8-6-10-4-3-9-8;9*1-3-2/h10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;2*9-10,12H,3-8H2,1-2H3;8H,3-7H2,1-2H3,(H,10,12);9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3;9*3H2,1-2H3/t;;;10-;;;;;8-;;;;;;;;;/m...0....0........./s1.

What are the key properties of 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane?

4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane has a molecular weight of 1940.39 g/mol, XLogP of 22.75, 26 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidin-4-ol;(3S)-1-(3-methylbutyl)piperidin-3-ol;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;1-methyl-4-(3-methylbutyl)piperazine;(3S)-3-(2-methylpropyl)morpholine;propane is sourced from PubChem (CID 159805955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).