(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate

C14H20N2O3 — CID 116819379

IUPAC(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate
SMILESCOc1cc(C)ccc1OC(=O)N1CCCC(N)C1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-12(13(8-10)18-2)19-14(17)16-7-3-4-11(15)9-16/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyVSBHTKWIDQVWHX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds2

About (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate

(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate (PubChem CID 116819379) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate
PubChem CID116819379
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate
SMILESCOc1cc(C)ccc1OC(=O)N1CCCC(N)C1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-12(13(8-10)18-2)19-14(17)16-7-3-4-11(15)9-16/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyVSBHTKWIDQVWHX-UHFFFAOYSA-N
XLogP1.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate?
The IUPAC name of (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate (CID 116819379) is (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate?
The canonical SMILES for (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate is COc1cc(C)ccc1OC(=O)N1CCCC(N)C1.
What is the InChIKey of (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate?
The InChIKey is VSBHTKWIDQVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-12(13(8-10)18-2)19-14(17)16-7-3-4-11(15)9-16/h5-6,8,11H,3-4,7,9,15H2,1-2H3.
What are the key properties of (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate?
(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate is sourced from PubChem (CID 116819379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).