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

C11H22ClNO2 — CID 122164376

IUPACtert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1(C)CCNCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-10(2,3)14-9(13)11(4)5-7-12-8-6-11;/h12H,5-8H2,1-4H3;1H
InChIKeyKWYCVTNECPSTAE-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.14
Rot. Bonds1

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

tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 122164376) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID122164376
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nametert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1(C)CCNCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-10(2,3)14-9(13)11(4)5-7-12-8-6-11;/h12H,5-8H2,1-4H3;1H
InChIKeyKWYCVTNECPSTAE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl Piperidine-4-carboxylate
CID 1512676
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Tert-butyl 1-(2-aminoethyl)piperidine-4-carboxylate
CID 57040950
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433
Methyl 3,3-dimethylpiperidine-4-carboxylate hydrochloride
CID 121305790
Tert-butyl 3-methylpiperidine-4-carboxylate hydrochloride
CID 126796348
4,4-Dimethyl piperidine-4,4-dicarboxylate hydrochloride
CID 139026421
Methyl 4-(propan-2-yl)piperidine-4-carboxylate hydrochloride
CID 154878796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride (CID 122164376) is tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride is CC(C)(C)OC(=O)C1(C)CCNCC1.Cl.
What is the InChIKey of tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is KWYCVTNECPSTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-10(2,3)14-9(13)11(4)5-7-12-8-6-11;/h12H,5-8H2,1-4H3;1H.
What are the key properties of tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride?
tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 122164376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).