6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

C85H180N16O4 — CID 158441117

About 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 158441117) has the molecular formula C85H180N16O4 and a molecular weight of 1490.48 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

• Compound Name: 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
• PubChem CID: 158441117
• Molecular Formula: C85H180N16O4
• Molecular Weight: 1490.48 g/mol
• Exact Mass: 1489.44
• IUPAC Name: 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
• SMILES: CC(C)C(=O)CCCN(C)C.CC(C)C(=O)N1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1
• InChI: InChI=1S/C13H27N3.C12H24N2.C9H18N2O.C9H20N2O.C9H20N2.C9H19NO.C8H18N2.C8H17NO.C8H17N/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9(11)6-5-7-10(3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;8H,4-7H2,1-3H3;9,12H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;8H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3
• InChIKey: HCVALTWKWFGRTC-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 135.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.48
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

The IUPAC name of 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 158441117) is 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

What is the SMILES notation for 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

The canonical SMILES for 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is CC(C)C(=O)CCCN(C)C.CC(C)C(=O)N1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1.

What is the InChIKey of 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

The InChIKey is HCVALTWKWFGRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C12H24N2.C9H18N2O.C9H20N2O.C9H20N2.C9H19NO.C8H18N2.C8H17NO.C8H17N/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9(11)6-5-7-10(3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8/h12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;8H,4-7H2,1-3H3;9,12H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;8H,5-7H2,1-4H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3.

What are the key properties of 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 1490.48 g/mol, XLogP of 9.20, 18 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 158441117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).