1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone

C16H28N2O2 — CID 82701794

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESNCCOC1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C16H28N2O2/c17-5-8-20-15-3-6-18(7-4-15)16(19)11-14-10-12-1-2-13(14)9-12/h12-15H,1-11,17H2
InChIKeyPGMMBLXIAPUGIT-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.78
Rot. Bonds5

About 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone

1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 82701794) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID82701794
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESNCCOC1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C16H28N2O2/c17-5-8-20-15-3-6-18(7-4-15)16(19)11-14-10-12-1-2-13(14)9-12/h12-15H,1-11,17H2
InChIKeyPGMMBLXIAPUGIT-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 107159957
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloropyrrolidin-1-yl)ethanone
CID 63398230
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 114960312
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 79867611
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509915
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395212
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone
CID 126835541

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 82701794) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone is NCCOC1CCN(C(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is PGMMBLXIAPUGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c17-5-8-20-15-3-6-18(7-4-15)16(19)11-14-10-12-1-2-13(14)9-12/h12-15H,1-11,17H2.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 82701794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).