2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone

C16H24N2O3 — CID 115582050

IUPAC2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(O)COc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-14(13-21-15-7-3-1-4-8-15)11-17-12-16(20)18-9-5-2-6-10-18/h1,3-4,7-8,14,17,19H,2,5-6,9-13H2
InChIKeyQMWYJRDHZSZUJP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.03
Rot. Bonds7

About 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone

2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone (PubChem CID 115582050) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
PubChem CID115582050
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(O)COc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-14(13-21-15-7-3-1-4-8-15)11-17-12-16(20)18-9-5-2-6-10-18/h1,3-4,7-8,14,17,19H,2,5-6,9-13H2
InChIKeyQMWYJRDHZSZUJP-UHFFFAOYSA-N
XLogP1.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone 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

2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]-1-morpholin-4-ylethanone
CID 67826771
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone (CID 115582050) is 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone is O=C(CNCC(O)COc1ccccc1)N1CCCCC1.
What is the InChIKey of 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is QMWYJRDHZSZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14(13-21-15-7-3-1-4-8-15)11-17-12-16(20)18-9-5-2-6-10-18/h1,3-4,7-8,14,17,19H,2,5-6,9-13H2.
What are the key properties of 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone?
2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 115582050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).