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

C13H23NO2 — CID 116929765

IUPACmethyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CC2CCN(C)CC2)CCC1
InChIInChI=1S/C13H23NO2/c1-14-8-4-11(5-9-14)10-13(6-3-7-13)12(15)16-2/h11H,3-10H2,1-2H3
InChIKeyNKAPDVXOHZZRQI-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

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

methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate (PubChem CID 116929765) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
PubChem CID116929765
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CC2CCN(C)CC2)CCC1
InChIInChI=1S/C13H23NO2/c1-14-8-4-11(5-9-14)10-13(6-3-7-13)12(15)16-2/h11H,3-10H2,1-2H3
InChIKeyNKAPDVXOHZZRQI-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate (CID 116929765) is methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate is COC(=O)C1(CC2CCN(C)CC2)CCC1.
What is the InChIKey of methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate?
The InChIKey is NKAPDVXOHZZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-8-4-11(5-9-14)10-13(6-3-7-13)12(15)16-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate?
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 116929765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).