1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

C16H24N2O2 — CID 63765744

IUPAC1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC(CCN)C1
InChIInChI=1S/C16H24N2O2/c1-20-15-7-3-2-6-14(15)11-16(19)18-10-4-5-13(12-18)8-9-17/h2-3,6-7,13H,4-5,8-12,17H2,1H3
InChIKeyTZVKOPMPEQZYMF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds5

About 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 63765744) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID63765744
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC(CCN)C1
InChIInChI=1S/C16H24N2O2/c1-20-15-7-3-2-6-14(15)11-16(19)18-10-4-5-13(12-18)8-9-17/h2-3,6-7,13H,4-5,8-12,17H2,1H3
InChIKeyTZVKOPMPEQZYMF-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone;hydrochloride
CID 120727725
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 63765744) is 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCC(CCN)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is TZVKOPMPEQZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-7-3-2-6-14(15)11-16(19)18-10-4-5-13(12-18)8-9-17/h2-3,6-7,13H,4-5,8-12,17H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 63765744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).