tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate

C13H25NO3 — CID 129395641

IUPACtert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
SMILESCOC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-7-13(4,9-14)10-16-5/h6-10H2,1-5H3/t13-/m1/s1
InChIKeyVTYTZECPQVSIHB-CYBMUJFWSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate

tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate (PubChem CID 129395641) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
PubChem CID129395641
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
SMILESCOC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-7-13(4,9-14)10-16-5/h6-10H2,1-5H3/t13-/m1/s1
InChIKeyVTYTZECPQVSIHB-CYBMUJFWSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 3-O-ethyl 3-methylpiperidine-1,3-dicarboxylate;tert-butyl 3-(methoxymethyl)-3-methylpiperidine-1-carboxylate;ethane
CID 144691608
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 3-[(2,2-dimethoxyethylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254672
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
CID 104872140
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530876
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530867
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate (CID 129395641) is tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate is COC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
The InChIKey is VTYTZECPQVSIHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-8-6-7-13(4,9-14)10-16-5/h6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate?
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 129395641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).