1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine

C131H271N15O5 — CID 165071920

About 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine

1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine (PubChem CID 165071920) has the molecular formula C131H271N15O5 and a molecular weight of 2136.71 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine
• PubChem CID: 165071920
• Molecular Formula: C131H271N15O5
• Molecular Weight: 2136.71 g/mol
• Exact Mass: 2135.14
• IUPAC Name: 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine
• SMILES: CC(C)(C)CCCN1CCCCCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCCCC1.CC(C)CCN1CCC(C)CC1.CC1CCN(CCCC(C)(C)C)CC1.CCCCC(C)(C)C.CN1CCN(C(=O)CCCC(C)(C)C)CC1.CN1CCN(C(=O)NCCCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1.C[C@H]1CNC(C(=O)CCCC(C)(C)C)C1.C[C@H]1CNC(C(=O)NCCCC(C)(C)C)C1
• InChI: InChI=1S/C13H27N3O.2C13H26N2O.C13H25NO.2C13H27N.C12H26N2.C11H23NO.2C11H23N.C8H18/c1-13(2,3)6-5-7-14-12(17)16-10-8-15(4)9-11-16;1-13(2,3)7-5-6-12(16)15-10-8-14(4)9-11-15;1-10-8-11(15-9-10)12(16)14-7-5-6-13(2,3)4;1-10-8-11(14-9-10)12(15)6-5-7-13(2,3)4;1-12-6-10-14(11-7-12)9-5-8-13(2,3)4;1-13(2,3)9-8-12-14-10-6-4-5-7-11-14;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-11(2,3)7-10-12-8-5-4-6-9-12;1-5-6-7-8(2,3)4/h5-11H2,1-4H3,(H,14,17);5-11H2,1-4H3;10-11,15H,5-9H2,1-4H3,(H,14,16);10-11,14H,5-9H2,1-4H3;12H,5-11H2,1-4H3;4-12H2,1-3H3;5-11H2,1-4H3;4-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-10H2,1-3H3;5-7H2,1-4H3/t;;2*10-,11?;;;;;;;/m..11......./s1
• InChIKey: SXGARQFGVCWPBA-BIRHKFEGSA-N
• XLogP: 28.78
• TPSA: 161.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 33
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.71
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine?

The IUPAC name of 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine (CID 165071920) is 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine.

What is the SMILES notation for 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine?

The canonical SMILES for 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine is CC(C)(C)CCCN1CCCCCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCCCC1.CC(C)CCN1CCC(C)CC1.CC1CCN(CCCC(C)(C)C)CC1.CCCCC(C)(C)C.CN1CCN(C(=O)CCCC(C)(C)C)CC1.CN1CCN(C(=O)NCCCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1.C[C@H]1CNC(C(=O)CCCC(C)(C)C)C1.C[C@H]1CNC(C(=O)NCCCC(C)(C)C)C1.

What is the InChIKey of 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine?

The InChIKey is SXGARQFGVCWPBA-BIRHKFEGSA-N. The full InChI is InChI=1S/C13H27N3O.2C13H26N2O.C13H25NO.2C13H27N.C12H26N2.C11H23NO.2C11H23N.C8H18/c1-13(2,3)6-5-7-14-12(17)16-10-8-15(4)9-11-16;1-13(2,3)7-5-6-12(16)15-10-8-14(4)9-11-15;1-10-8-11(15-9-10)12(16)14-7-5-6-13(2,3)4;1-10-8-11(14-9-10)12(15)6-5-7-13(2,3)4;1-12-6-10-14(11-7-12)9-5-8-13(2,3)4;1-13(2,3)9-8-12-14-10-6-4-5-7-11-14;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-11(2,3)7-10-12-8-5-4-6-9-12;1-5-6-7-8(2,3)4/h5-11H2,1-4H3,(H,14,17);5-11H2,1-4H3;10-11,15H,5-9H2,1-4H3,(H,14,16);10-11,14H,5-9H2,1-4H3;12H,5-11H2,1-4H3;4-12H2,1-3H3;5-11H2,1-4H3;4-10H2,1-3H3;10-11H,4-9H2,1-3H3;4-10H2,1-3H3;5-7H2,1-4H3/t;;2*10-,11?;;;;;;;/m..11......./s1.

What are the key properties of 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine?

1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine has a molecular weight of 2136.71 g/mol, XLogP of 28.78, 33 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutyl)piperidine;2,2-dimethylhexane;5,5-dimethyl-1-(4-methylpiperazin-1-yl)hexan-1-one;5,5-dimethyl-1-[(4R)-4-methylpyrrolidin-2-yl]hexan-1-one;1-(4,4-dimethylpentyl)azepane;1-(4,4-dimethylpentyl)-4-methylpiperazine;N-(4,4-dimethylpentyl)-4-methylpiperazine-1-carboxamide;1-(4,4-dimethylpentyl)-4-methylpiperidine;(4R)-N-(4,4-dimethylpentyl)-4-methylpyrrolidine-2-carboxamide;4-(4,4-dimethylpentyl)morpholine;4-methyl-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 165071920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).