4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine

C148H307N25O11S2 — CID 159052699

About 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine

4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine (PubChem CID 159052699) has the molecular formula C148H307N25O11S2 and a molecular weight of 2677.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine.

Molecular Properties

• Compound Name: 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine
• PubChem CID: 159052699
• Molecular Formula: C148H307N25O11S2
• Molecular Weight: 2677.38 g/mol
• Exact Mass: 2675.37
• IUPAC Name: 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine
• SMILES: CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC(C)N1CCOCC1.CC(C)N1CCOCC1=O.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCSCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.[C-]#[N+]C1CCN(C(C)C)CC1
• InChI: InChI=1S/C10H21N.C9H18N2O.C9H20N2.C9H16N2.C9H19NO.2C9H19N.2C8H16N2O.2C8H18N2.C8H17NO.C8H15NO.C8H17N.C7H15NO2S.C7H13NO2.C7H15NO.C7H15NS/c1-9(2)11-7-5-10(3,4)6-8-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)8-3-4-10-5-7(8)9;2*1-7(2)8-3-5-9-6-4-8/h9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-2H3;8,11H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3
• InChIKey: JXLWBQYREWOTAL-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 306.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.38
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine?

The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine (CID 159052699) is 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine.

What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine?

The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine is CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC(C)N1CCOCC1.CC(C)N1CCOCC1=O.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCSCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.[C-]#[N+]C1CCN(C(C)C)CC1.

What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine?

The InChIKey is JXLWBQYREWOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H18N2O.C9H20N2.C9H16N2.C9H19NO.2C9H19N.2C8H16N2O.2C8H18N2.C8H17NO.C8H15NO.C8H17N.C7H15NO2S.C7H13NO2.C7H15NO.C7H15NS/c1-9(2)11-7-5-10(3,4)6-8-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)8-3-4-10-5-7(8)9;2*1-7(2)8-3-5-9-6-4-8/h9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-2H3;8,11H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3.

What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine?

4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine has a molecular weight of 2677.38 g/mol, XLogP of 19.90, 20 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-dimethyl-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;4-isocyano-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;bis(4-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidin-4-ol;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-2-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-ylthiomorpholine is sourced from PubChem (CID 159052699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).