methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride

C13H25ClN2O4 — CID 138039808

IUPACmethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(CNC(=O)OC(C)(C)C)CCNCC1.Cl
InChIInChI=1S/C13H24N2O4.ClH/c1-12(2,3)19-11(17)15-9-13(10(16)18-4)5-7-14-8-6-13;/h14H,5-9H2,1-4H3,(H,15,17);1H
InChIKeyMHACLUMXRYAHJP-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.48
Rot. Bonds3

About methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride

methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 138039808) has the molecular formula C13H25ClN2O4 and a molecular weight of 308.81 g/mol. Its IUPAC name is methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride
PubChem CID138039808
Molecular FormulaC13H25ClN2O4
Molecular Weight308.81 g/mol
Exact Mass308.15
IUPAC Namemethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(CNC(=O)OC(C)(C)C)CCNCC1.Cl
InChIInChI=1S/C13H24N2O4.ClH/c1-12(2,3)19-11(17)15-9-13(10(16)18-4)5-7-14-8-6-13;/h14H,5-9H2,1-4H3,(H,15,17);1H
InChIKeyMHACLUMXRYAHJP-UHFFFAOYSA-N
XLogP1.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride with MolForge

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Related Compounds

1,4-Di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 21948349
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 25418822
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate
CID 117100495
Ethyl 3-(((tert-butoxy)carbonyl)amino)piperidine-4-carboxylate
CID 102548857
Methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate
CID 105519314
1-O-tert-butyl 4-O-methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1,4-dicarboxylate
CID 88991157
cis-methyl (1S,2R)-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 101229080
Tert-butyl 4-[(3-methoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 40211427
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 46839935
1-O-tert-butyl 4-O-ethyl 4-[2-(methylamino)ethyl]piperidine-1,4-dicarboxylate
CID 58893172
1-Tert-butyl 4-ethyl 4-((tert-butoxycarbonylamino)methyl)piperidine-1,4-dicarboxylate
CID 59322269

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride (CID 138039808) is methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride is COC(=O)C1(CNC(=O)OC(C)(C)C)CCNCC1.Cl.
What is the InChIKey of methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is MHACLUMXRYAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.ClH/c1-12(2,3)19-11(17)15-9-13(10(16)18-4)5-7-14-8-6-13;/h14H,5-9H2,1-4H3,(H,15,17);1H.
What are the key properties of methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride?
methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 138039808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).