tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate

C88H168N6O14 — CID 158911510

About tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate

tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate (PubChem CID 158911510) has the molecular formula C88H168N6O14 and a molecular weight of 1534.34 g/mol. Its IUPAC name is tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate.

Molecular Properties

• Compound Name: tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate
• PubChem CID: 158911510
• Molecular Formula: C88H168N6O14
• Molecular Weight: 1534.34 g/mol
• Exact Mass: 1533.26
• IUPAC Name: tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate
• SMILES: CC(=O)NC(C)(C)CC(CC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC(CC(=O)O)C1CCNCC1.CC(C)(C)CC(CC(C)(C)O)C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)CC(CC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)CC(CC(C)(C)C)C1CCNCC1
• InChI: InChI=1S/C22H42N2O3.C20H39NO3.C19H35NO4.C14H27NO2.C13H25NO2/c1-16(25)23-22(8,9)15-18(14-20(2,3)4)17-10-12-24(13-11-17)19(26)27-21(5,6)7;1-18(2,3)13-16(14-20(7,8)23)15-9-11-21(12-10-15)17(22)24-19(4,5)6;1-18(2,3)13-15(12-16(21)23-7)14-8-10-20(11-9-14)17(22)24-19(4,5)6;1-14(2,3)10-12(9-13(16)17-4)11-5-7-15-8-6-11;1-13(2,3)9-11(8-12(15)16)10-4-6-14-7-5-10/h17-18H,10-15H2,1-9H3,(H,23,25);15-16,23H,9-14H2,1-8H3;14-15H,8-13H2,1-7H3;11-12,15H,5-10H2,1-4H3;10-11,14H,4-9H2,1-3H3,(H,15,16)
• InChIKey: JGSBTQLNTKLOLI-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 251.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.34
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate?

The IUPAC name of tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate (CID 158911510) is tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate.

What is the SMILES notation for tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate?

The canonical SMILES for tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate is CC(=O)NC(C)(C)CC(CC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC(CC(=O)O)C1CCNCC1.CC(C)(C)CC(CC(C)(C)O)C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)CC(CC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)CC(CC(C)(C)C)C1CCNCC1.

What is the InChIKey of tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate?

The InChIKey is JGSBTQLNTKLOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O3.C20H39NO3.C19H35NO4.C14H27NO2.C13H25NO2/c1-16(25)23-22(8,9)15-18(14-20(2,3)4)17-10-12-24(13-11-17)19(26)27-21(5,6)7;1-18(2,3)13-16(14-20(7,8)23)15-9-11-21(12-10-15)17(22)24-19(4,5)6;1-18(2,3)13-15(12-16(21)23-7)14-8-10-20(11-9-14)17(22)24-19(4,5)6;1-14(2,3)10-12(9-13(16)17-4)11-5-7-15-8-6-11;1-13(2,3)9-11(8-12(15)16)10-4-6-14-7-5-10/h17-18H,10-15H2,1-9H3,(H,23,25);15-16,23H,9-14H2,1-8H3;14-15H,8-13H2,1-7H3;11-12,15H,5-10H2,1-4H3;10-11,14H,4-9H2,1-3H3,(H,15,16).

What are the key properties of tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate?

tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate has a molecular weight of 1534.34 g/mol, XLogP of 19.20, 21 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate is sourced from PubChem (CID 158911510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).