(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine

C69H144N12O5S — CID 159793015

About (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine

(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine (PubChem CID 159793015) has the molecular formula C69H144N12O5S and a molecular weight of 1254.06 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine
• PubChem CID: 159793015
• Molecular Formula: C69H144N12O5S
• Molecular Weight: 1254.06 g/mol
• Exact Mass: 1253.11
• IUPAC Name: (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine
• SMILES: C=S1(=O)CCN(C(C)C)CC1.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(C)[C@H](C)C1.CC(C)N1CCN(C2COC2)C[C@@H]1C.CC(C)N1CCN(C2COC2)C[C@H]1C.CC(C)N1C[C@@H](C)N(C2COC2)[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1
• InChI: InChI=1S/C12H24N2O.2C11H22N2O.2C9H20N2.C9H19NO.C8H17NOS/c1-9(2)13-5-10(3)14(11(4)6-13)12-7-15-8-12;2*1-9(2)13-5-4-12(6-10(13)3)11-7-14-8-11;2*1-8(2)11-6-5-10(4)9(3)7-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)9-4-6-11(3,10)7-5-9/h9-12H,5-8H2,1-4H3;2*9-11H,4-8H2,1-3H3;2*8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;8H,3-7H2,1-2H3/t10-,11+;2*10-;2*9-;8-,9+;/m.1010../s1
• InChIKey: NIURHCOWTSMHMB-AHTBOJHTSA-N
• XLogP: 6.78
• TPSA: 92.87 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1254.06
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine?

The IUPAC name of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine (CID 159793015) is (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine.

What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine?

The canonical SMILES for (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine is C=S1(=O)CCN(C(C)C)CC1.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCN(C)[C@H](C)C1.CC(C)N1CCN(C2COC2)C[C@@H]1C.CC(C)N1CCN(C2COC2)C[C@H]1C.CC(C)N1C[C@@H](C)N(C2COC2)[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.

What is the InChIKey of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine?

The InChIKey is NIURHCOWTSMHMB-AHTBOJHTSA-N. The full InChI is InChI=1S/C12H24N2O.2C11H22N2O.2C9H20N2.C9H19NO.C8H17NOS/c1-9(2)13-5-10(3)14(11(4)6-13)12-7-15-8-12;2*1-9(2)13-5-4-12(6-10(13)3)11-7-14-8-11;2*1-8(2)11-6-5-10(4)9(3)7-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)9-4-6-11(3,10)7-5-9/h9-12H,5-8H2,1-4H3;2*9-11H,4-8H2,1-3H3;2*8-9H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;8H,3-7H2,1-2H3/t10-,11+;2*10-;2*9-;8-,9+;/m.1010../s1.

What are the key properties of (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine?

(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine has a molecular weight of 1254.06 g/mol, XLogP of 6.78, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 159793015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).