1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

C17H26N2O2 — CID 82688051

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC(OCCN)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-2-4-15(5-3-14)6-7-17(20)19-11-8-16(9-12-19)21-13-10-18/h2-5,16H,6-13,18H2,1H3
InChIKeyXQCWXYBNKJCQCO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.89
Rot. Bonds6

About 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (PubChem CID 82688051) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
PubChem CID82688051
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC(OCCN)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-2-4-15(5-3-14)6-7-17(20)19-11-8-16(9-12-19)21-13-10-18/h2-5,16H,6-13,18H2,1H3
InChIKeyXQCWXYBNKJCQCO-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119663051
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxyethyl carbamate
CID 173090240
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
2-chloroethyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566503
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (CID 82688051) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCC(OCCN)CC2)cc1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The InChIKey is XQCWXYBNKJCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-2-4-15(5-3-14)6-7-17(20)19-11-8-16(9-12-19)21-13-10-18/h2-5,16H,6-13,18H2,1H3.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.89, 6 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]-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 82688051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).