tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride

C11H22ClNO2 — CID 126796348

IUPACtert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride
SMILESCC1CNCCC1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4;/h8-9,12H,5-7H2,1-4H3;1H
InChIKeyHKNSCIZIBXGKCE-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.00
Rot. Bonds1

About tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride

tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 126796348) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID126796348
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nametert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride
SMILESCC1CNCCC1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4;/h8-9,12H,5-7H2,1-4H3;1H
InChIKeyHKNSCIZIBXGKCE-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride (CID 126796348) is tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride is CC1CNCCC1C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is HKNSCIZIBXGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4;/h8-9,12H,5-7H2,1-4H3;1H.
What are the key properties of tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride?
tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 126796348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).