tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine

C17H34N2O2 — CID 69197440

IUPACtert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCNCC1
InChIInChI=1S/C11H21NO2.C6H13N/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-6-2-4-7-5-3-6/h9H,5-8H2,1-4H3;6-7H,2-5H2,1H3
InChIKeyZZOYRCHKGTUPBF-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.66
Rot. Bonds

About tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine

tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine (PubChem CID 69197440) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine.

Molecular Properties

Compound Nametert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine
PubChem CID69197440
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine
SMILESCC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCNCC1
InChIInChI=1S/C11H21NO2.C6H13N/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-6-2-4-7-5-3-6/h9H,5-8H2,1-4H3;6-7H,2-5H2,1H3
InChIKeyZZOYRCHKGTUPBF-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine?
The IUPAC name of tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine (CID 69197440) is tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine.
What is the SMILES notation for tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine?
The canonical SMILES for tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine is CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCNCC1.
What is the InChIKey of tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine?
The InChIKey is ZZOYRCHKGTUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C6H13N/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-6-2-4-7-5-3-6/h9H,5-8H2,1-4H3;6-7H,2-5H2,1H3.
What are the key properties of tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine?
tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine has a molecular weight of 298.47 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine is sourced from PubChem (CID 69197440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).