(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate

C18H25NO2 — CID 23295066

IUPAC(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
SMILESCc1ccc(C2(C(=O)OC3CCN(C)CC3)CCC2)cc1
InChIInChI=1S/C18H25NO2/c1-14-4-6-15(7-5-14)18(10-3-11-18)17(20)21-16-8-12-19(2)13-9-16/h4-7,16H,3,8-13H2,1-2H3
InChIKeyLBMNBTYKPZQFIL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.05
Rot. Bonds3

About (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate

(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate (PubChem CID 23295066) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
PubChem CID23295066
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
SMILESCc1ccc(C2(C(=O)OC3CCN(C)CC3)CCC2)cc1
InChIInChI=1S/C18H25NO2/c1-14-4-6-15(7-5-14)18(10-3-11-18)17(20)21-16-8-12-19(2)13-9-16/h4-7,16H,3,8-13H2,1-2H3
InChIKeyLBMNBTYKPZQFIL-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate (CID 23295066) is (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate is Cc1ccc(C2(C(=O)OC3CCN(C)CC3)CCC2)cc1.
What is the InChIKey of (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate?
The InChIKey is LBMNBTYKPZQFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-4-6-15(7-5-14)18(10-3-11-18)17(20)21-16-8-12-19(2)13-9-16/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate?
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 23295066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).