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

C16H24N2O3 — CID 82688164

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESNCCOC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3/c17-9-13-21-15-6-10-18(11-7-15)16(19)8-12-20-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2
InChIKeyKIJBRUXUFIOZOD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds7

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

1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 82688164) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID82688164
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESNCCOC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3/c17-9-13-21-15-6-10-18(11-7-15)16(19)8-12-20-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2
InChIKeyKIJBRUXUFIOZOD-UHFFFAOYSA-N
XLogP1.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119664640
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 119664515
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
2-chloroethyl N-[1-(3-phenoxypropanoyl)piperidin-4-yl]carbamate
CID 108565920

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one (CID 82688164) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one is NCCOC1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is KIJBRUXUFIOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-9-13-21-15-6-10-18(11-7-15)16(19)8-12-20-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 82688164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).