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

C90H190N16O4 — CID 159285266

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

1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 159285266) has the molecular formula C90H190N16O4 and a molecular weight of 1560.62 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

• Compound Name: 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol
• PubChem CID: 159285266
• Molecular Formula: C90H190N16O4
• Molecular Weight: 1560.62 g/mol
• Exact Mass: 1559.52
• IUPAC Name: 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol
• SMILES: CC(C)(C)C1CCNCC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)C(=O)CCCN(C)C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCN(CCO)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C13H27N3.C13H26N2.C10H20N2O.C9H20N2O.2C9H20N2.2C9H19NO.C9H19N/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2)11-5-3-10(4-6-11)7-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2)11-6-5-9(7-11)10(3)4;1-9(2,3)10-6-4-8(11)5-7-10;1-8(2)9(11)6-5-7-10(3)4;1-9(2,3)8-4-6-10-7-5-8/h12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;5-8H2,1-4H3;9,12H,3-8H2,1-2H3;5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8,11H,4-7H2,1-3H3;8H,5-7H2,1-4H3;8,10H,4-7H2,1-3H3
• InChIKey: KZKVMGVQBQIOPE-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 135.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.62
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol (CID 159285266) is 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol.

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

The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol is CC(C)(C)C1CCNCC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)C(=O)CCCN(C)C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCN(CCO)CC1.CN1CCN(C(=O)C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.

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

The InChIKey is KZKVMGVQBQIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C13H26N2.C10H20N2O.C9H20N2O.2C9H20N2.2C9H19NO.C9H19N/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2)11-5-3-10(4-6-11)7-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2)11-6-5-9(7-11)10(3)4;1-9(2,3)10-6-4-8(11)5-7-10;1-8(2)9(11)6-5-7-10(3)4;1-9(2,3)8-4-6-10-7-5-8/h12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;5-8H2,1-4H3;9,12H,3-8H2,1-2H3;5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8,11H,4-7H2,1-3H3;8H,5-7H2,1-4H3;8,10H,4-7H2,1-3H3.

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

1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 1560.62 g/mol, XLogP of 11.15, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 159285266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).