2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone

C15H22N2O2 — CID 54931191

IUPAC2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
SMILESNCCc1ccccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c16-9-8-13-6-2-3-7-14(13)19-12-15(18)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-12,16H2
InChIKeyWZVLWVJMDAPSOA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone

2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone (PubChem CID 54931191) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
PubChem CID54931191
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
SMILESNCCc1ccccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c16-9-8-13-6-2-3-7-14(13)19-12-15(18)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-12,16H2
InChIKeyWZVLWVJMDAPSOA-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-aminoethyl)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-[2-(2-aminoethyl)-6-bromophenoxy]-1-(azepan-1-yl)ethanone
CID 61391992
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone
CID 61391986
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283261
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 111469398
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone (CID 54931191) is 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone is NCCc1ccccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is WZVLWVJMDAPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-8-13-6-2-3-7-14(13)19-12-15(18)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-12,16H2.
What are the key properties of 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone?
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 54931191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).