tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide

C58H121N9O4 — CID 158601077

About tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide

tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide (PubChem CID 158601077) has the molecular formula C58H121N9O4 and a molecular weight of 1008.66 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide.

Molecular Properties

• Compound Name: tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide
• PubChem CID: 158601077
• Molecular Formula: C58H121N9O4
• Molecular Weight: 1008.66 g/mol
• Exact Mass: 1007.95
• IUPAC Name: tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide
• SMILES: CC(C)N1CCC(C)(N)CC1.CC(C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCC(C)(O)CC1.CC1CCN(C(C)C)CC1N(C)C(=O)CC(C)(C)C.CNC1CN(C(C)C)CCC1C
• InChI: InChI=1S/C16H32N2O.C14H28N2O2.C10H22N2.C9H20N2.C9H19NO/c1-12(2)18-9-8-13(3)14(11-18)17(7)15(19)10-16(4,5)6;1-11(2)16-9-7-14(6,8-10-16)15-12(17)18-13(3,4)5;1-8(2)12-6-5-9(3)10(7-12)11-4;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10/h12-14H,8-11H2,1-7H3;11H,7-10H2,1-6H3,(H,15,17);8-11H,5-7H2,1-4H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3
• InChIKey: HVQKJMQGYADBDU-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 133.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1008.66
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide?

The IUPAC name of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide (CID 158601077) is tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide.

What is the SMILES notation for tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide?

The canonical SMILES for tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide is CC(C)N1CCC(C)(N)CC1.CC(C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCC(C)(O)CC1.CC1CCN(C(C)C)CC1N(C)C(=O)CC(C)(C)C.CNC1CN(C(C)C)CCC1C.

What is the InChIKey of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide?

The InChIKey is HVQKJMQGYADBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.C14H28N2O2.C10H22N2.C9H20N2.C9H19NO/c1-12(2)18-9-8-13(3)14(11-18)17(7)15(19)10-16(4,5)6;1-11(2)16-9-7-14(6,8-10-16)15-12(17)18-13(3,4)5;1-8(2)12-6-5-9(3)10(7-12)11-4;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10/h12-14H,8-11H2,1-7H3;11H,7-10H2,1-6H3,(H,15,17);8-11H,5-7H2,1-4H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3.

What are the key properties of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide?

tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide has a molecular weight of 1008.66 g/mol, XLogP of 9.55, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N,3,3-trimethyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 158601077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).