(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate

C13H18N2O3 — CID 116819357

IUPAC(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
SMILESCOc1ccccc1OC(=O)N1CCCC(N)C1
InChIInChI=1S/C13H18N2O3/c1-17-11-6-2-3-7-12(11)18-13(16)15-8-4-5-10(14)9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3
InChIKeyLAOPGVYZTAMKID-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds2

About (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate

(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate (PubChem CID 116819357) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
PubChem CID116819357
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
SMILESCOc1ccccc1OC(=O)N1CCCC(N)C1
InChIInChI=1S/C13H18N2O3/c1-17-11-6-2-3-7-12(11)18-13(16)15-8-4-5-10(14)9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3
InChIKeyLAOPGVYZTAMKID-UHFFFAOYSA-N
XLogP1.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4-methylphenyl) 3-aminopiperidine-1-carboxylate
CID 116819379
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
1-(3-aminopiperidin-1-yl)-3-(2-methoxyphenyl)but-2-en-1-one
CID 126784976
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119379893
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate?
The IUPAC name of (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate (CID 116819357) is (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate is COc1ccccc1OC(=O)N1CCCC(N)C1.
What is the InChIKey of (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate?
The InChIKey is LAOPGVYZTAMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-6-2-3-7-12(11)18-13(16)15-8-4-5-10(14)9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3.
What are the key properties of (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate?
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-aminopiperidine-1-carboxylate is sourced from PubChem (CID 116819357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).