methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate

C15H27NO3 — CID 139515865

IUPACmethyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate
SMILESCOCC1(C)CCN(CC2(C(=O)OC)CCC2)CC1
InChIInChI=1S/C15H27NO3/c1-14(12-18-2)7-9-16(10-8-14)11-15(5-4-6-15)13(17)19-3/h4-12H2,1-3H3
InChIKeyGMZUBZFWSJSVHU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.08
Rot. Bonds5

About methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate

methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate (PubChem CID 139515865) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate
PubChem CID139515865
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate
SMILESCOCC1(C)CCN(CC2(C(=O)OC)CCC2)CC1
InChIInChI=1S/C15H27NO3/c1-14(12-18-2)7-9-16(10-8-14)11-15(5-4-6-15)13(17)19-3/h4-12H2,1-3H3
InChIKeyGMZUBZFWSJSVHU-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate (CID 139515865) is methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate is COCC1(C)CCN(CC2(C(=O)OC)CCC2)CC1.
What is the InChIKey of methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate?
The InChIKey is GMZUBZFWSJSVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(12-18-2)7-9-16(10-8-14)11-15(5-4-6-15)13(17)19-3/h4-12H2,1-3H3.
What are the key properties of methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate?
methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 139515865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).