2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone

C16H24N2O2 — CID 43186019

IUPAC2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCCC(N)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-15(17)13-6-8-14(9-7-13)20-12-16(19)18-10-4-3-5-11-18/h6-9,15H,2-5,10-12,17H2,1H3
InChIKeyGJIMRXBQTQINJR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone

2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone (PubChem CID 43186019) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
PubChem CID43186019
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCCC(N)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-15(17)13-6-8-14(9-7-13)20-12-16(19)18-10-4-3-5-11-18/h6-9,15H,2-5,10-12,17H2,1H3
InChIKeyGJIMRXBQTQINJR-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-aminopropyl)phenoxy]-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-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
CID 43280073
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone (CID 43186019) is 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone is CCC(N)c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is GJIMRXBQTQINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-15(17)13-6-8-14(9-7-13)20-12-16(19)18-10-4-3-5-11-18/h6-9,15H,2-5,10-12,17H2,1H3.
What are the key properties of 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone?
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43186019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).