1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol

C101H188N8O6 — CID 159586253

About 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol

1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol (PubChem CID 159586253) has the molecular formula C101H188N8O6 and a molecular weight of 1610.66 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol.

Molecular Properties

• Compound Name: 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
• PubChem CID: 159586253
• Molecular Formula: C101H188N8O6
• Molecular Weight: 1610.66 g/mol
• Exact Mass: 1609.47
• IUPAC Name: 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
• SMILES: CC(C)C1=CCOCC1.CC(C)C1C=COCC1.CC(C)C1CCOCC1.CC(C)Cc1ccccc1.CC(C)N1CCC(CO)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)Nc1ccccc1.CC(C)Oc1ccccc1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1
• InChI: InChI=1S/C10H14.C9H19NO.C9H19N.C9H13N.C9H12O.C8H18N2.2C8H17N.C8H16O.2C8H14O.C7H15NO/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;4*1-7(2)8-3-5-9-6-4-8/h3-7,9H,8H2,1-2H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-8,10H,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;7H,3-6H2,1-2H3
• InChIKey: MJQQCUYGSUNHCH-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 101.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.66
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?

The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol (CID 159586253) is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol.

What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?

The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol is CC(C)C1=CCOCC1.CC(C)C1C=COCC1.CC(C)C1CCOCC1.CC(C)Cc1ccccc1.CC(C)N1CCC(CO)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)Nc1ccccc1.CC(C)Oc1ccccc1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1.

What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?

The InChIKey is MJQQCUYGSUNHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H19NO.C9H19N.C9H13N.C9H12O.C8H18N2.2C8H17N.C8H16O.2C8H14O.C7H15NO/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;4*1-7(2)8-3-5-9-6-4-8/h3-7,9H,8H2,1-2H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-8,10H,1-2H3;3-8H,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;7H,3-6H2,1-2H3.

What are the key properties of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?

1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol has a molecular weight of 1610.66 g/mol, XLogP of 22.33, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 159586253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).