4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine

C67H143N9 — CID 158926393

About 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine

4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine (PubChem CID 158926393) has the molecular formula C67H143N9 and a molecular weight of 1074.94 g/mol. Its IUPAC name is 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine.

Molecular Properties

• Compound Name: 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine
• PubChem CID: 158926393
• Molecular Formula: C67H143N9
• Molecular Weight: 1074.94 g/mol
• Exact Mass: 1074.15
• IUPAC Name: 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine
• SMILES: CC(C)CCC1CCN(C(C)C)CC1.CC(C)CCCCC1CCN(C(C)C)CC1.CC(C)CCCCN1CCN(C(C)C)CC1.CC(C)NCCC1CCN(C(C)C)CC1.CC(C)NCCN1CCN(C(C)C)CC1
• InChI: InChI=1S/C15H31N.C14H30N2.C13H28N2.C13H27N.C12H27N3/c2*1-13(2)7-5-6-8-15-9-11-16(12-10-15)14(3)4;1-11(2)14-8-5-13-6-9-15(10-7-13)12(3)4;1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-11(2)13-5-6-14-7-9-15(10-8-14)12(3)4/h13-15H,5-12H2,1-4H3;13-14H,5-12H2,1-4H3;11-14H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3
• InChIKey: JIMOBKJWFMEUSS-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 46.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.94
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine?

The IUPAC name of 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine (CID 158926393) is 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine.

What is the SMILES notation for 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine?

The canonical SMILES for 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine is CC(C)CCC1CCN(C(C)C)CC1.CC(C)CCCCC1CCN(C(C)C)CC1.CC(C)CCCCN1CCN(C(C)C)CC1.CC(C)NCCC1CCN(C(C)C)CC1.CC(C)NCCN1CCN(C(C)C)CC1.

What is the InChIKey of 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine?

The InChIKey is JIMOBKJWFMEUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C14H30N2.C13H28N2.C13H27N.C12H27N3/c2*1-13(2)7-5-6-8-15-9-11-16(12-10-15)14(3)4;1-11(2)14-8-5-13-6-9-15(10-7-13)12(3)4;1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-11(2)13-5-6-14-7-9-15(10-8-14)12(3)4/h13-15H,5-12H2,1-4H3;13-14H,5-12H2,1-4H3;11-14H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3.

What are the key properties of 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine?

4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine has a molecular weight of 1074.94 g/mol, XLogP of 14.21, 26 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(5-methylhexyl)-4-propan-2-ylpiperazine;4-(5-methylhexyl)-1-propan-2-ylpiperidine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine;N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 158926393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).