N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)

C108H231N15O7 — CID 157417260

About N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)

N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine) (PubChem CID 157417260) has the molecular formula C108H231N15O7 and a molecular weight of 1852.13 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine).

Molecular Properties

• Compound Name: N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)
• PubChem CID: 157417260
• Molecular Formula: C108H231N15O7
• Molecular Weight: 1852.13 g/mol
• Exact Mass: 1850.82
• IUPAC Name: N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)
• SMILES: CC(C)NCC1CCN(C)C1.CC(C)NCC1CCN(C)CC1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)CC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCN(C)CC1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1
• InChI: InChI=1S/C10H22N2.C10H21NO.C9H20N2O.C9H20N2.5C9H19NO.C9H19N.2C8H17N/c1-9(2)11-8-10-4-6-12(3)7-5-10;1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)10-6-9-4-5-11(3)7-9;2*1-8(2)11-7-9-4-5-10(3)6-9;3*1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)9-5-4-8(3)6-9/h9-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3
• InChIKey: BOZPEPVWEGHBDM-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 130.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.13
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)?

The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine) (CID 157417260) is N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine).

What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)?

The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine) is CC(C)NCC1CCN(C)C1.CC(C)NCC1CCN(C)CC1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)C1.CC(C)OCC1CCN(C)CC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCCCC1.CC(C)OCN1CCN(C)CC1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)CC1.

What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)?

The InChIKey is BOZPEPVWEGHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H21NO.C9H20N2O.C9H20N2.5C9H19NO.C9H19N.2C8H17N/c1-9(2)11-8-10-4-6-12(3)7-5-10;1-9(2)12-8-10-4-6-11(3)7-5-10;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)10-6-9-4-5-11(3)7-9;2*1-8(2)11-7-9-4-5-10(3)6-9;3*1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)9-5-4-8(3)6-9/h9-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3.

What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine)?

N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine) has a molecular weight of 1852.13 g/mol, XLogP of 18.52, 30 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-(propan-2-yloxymethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperidine;bis(1-methyl-3-(propan-2-yloxymethyl)pyrrolidine);4-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpyrrolidine);N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine;tris(1-(propan-2-yloxymethyl)piperidine) is sourced from PubChem (CID 157417260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).