1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone

C17H26N2O3 — CID 119435917

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCCC2C(C)N)c1
InChIInChI=1S/C17H26N2O3/c1-12(18)15-6-4-5-9-19(15)17(20)11-13-10-14(21-2)7-8-16(13)22-3/h7-8,10,12,15H,4-6,9,11,18H2,1-3H3
InChIKeyDTKGIWATBPWBDZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone (PubChem CID 119435917) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
PubChem CID119435917
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCCC2C(C)N)c1
InChIInChI=1S/C17H26N2O3/c1-12(18)15-6-4-5-9-19(15)17(20)11-13-10-14(21-2)7-8-16(13)22-3/h7-8,10,12,15H,4-6,9,11,18H2,1-3H3
InChIKeyDTKGIWATBPWBDZ-UHFFFAOYSA-N
XLogP1.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone (CID 119435917) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone is COc1ccc(OC)c(CC(=O)N2CCCCC2C(C)N)c1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone?
The InChIKey is DTKGIWATBPWBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(18)15-6-4-5-9-19(15)17(20)11-13-10-14(21-2)7-8-16(13)22-3/h7-8,10,12,15H,4-6,9,11,18H2,1-3H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 119435917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).