tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate

C17H33NO3 — CID 83206494

IUPACtert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
SMILESCC(C)CCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-14(2)8-7-13-20-17(6)9-11-18(12-10-17)15(19)21-16(3,4)5/h14H,7-13H2,1-6H3
InChIKeyDMXLSDTXZZJPLV-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate (PubChem CID 83206494) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
PubChem CID83206494
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nametert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
SMILESCC(C)CCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-14(2)8-7-13-20-17(6)9-11-18(12-10-17)15(19)21-16(3,4)5/h14H,7-13H2,1-6H3
InChIKeyDMXLSDTXZZJPLV-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 113351202
tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate
CID 123285187
tert-butyl 4-(3-imidazol-1-ylpropoxy)-4-methylpiperidine-1-carboxylate
CID 103916001
tert-butyl 3-(bromomethyl)-3-(5-methylhexoxy)piperidine-1-carboxylate
CID 165494781
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate (CID 83206494) is tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate is CC(C)CCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate?
The InChIKey is DMXLSDTXZZJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-14(2)8-7-13-20-17(6)9-11-18(12-10-17)15(19)21-16(3,4)5/h14H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate is sourced from PubChem (CID 83206494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).