1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

C66H139N11O3 — CID 157194497

About 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 157194497) has the molecular formula C66H139N11O3 and a molecular weight of 1134.91 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
• PubChem CID: 157194497
• Molecular Formula: C66H139N11O3
• Molecular Weight: 1134.91 g/mol
• Exact Mass: 1134.11
• IUPAC Name: 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
• SMILES: CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCN(C)CC1.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCN1CCCCC1.CN1CCC(N2CCN(C(C)(C)C)CC2)CC1
• InChI: InChI=1S/C14H29N3.C12H24N2.C11H24N2O.C11H23NO.C10H21NO.C8H18N2/c1-14(2,3)17-11-9-16(10-12-17)13-5-7-15(4)8-6-13;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-10(2)12-9-8-11-6-4-3-5-7-11;1-8(2)10-6-4-9(3)5-7-10/h13H,5-12H2,1-4H3;11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;8H,4-7H2,1-3H3
• InChIKey: AQBWVSRAAMRCPQ-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 63.33 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1134.91
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

The IUPAC name of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 157194497) is 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

What is the SMILES notation for 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

The canonical SMILES for 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCN(C)CC1.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCN1CCCCC1.CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.

What is the InChIKey of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

The InChIKey is AQBWVSRAAMRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C12H24N2.C11H24N2O.C11H23NO.C10H21NO.C8H18N2/c1-14(2,3)17-11-9-16(10-12-17)13-5-7-15(4)8-6-13;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-10(2)12-9-8-11-6-4-3-5-7-11;1-8(2)10-6-4-9(3)5-7-10/h13H,5-12H2,1-4H3;11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;8H,4-7H2,1-3H3.

What are the key properties of 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?

1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 1134.91 g/mol, XLogP of 9.33, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-propan-2-yloxyethyl)piperidine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 157194497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).