2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone

C17H26N2O2 — CID 60906554

IUPAC2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCCC(N)Cc1cccc(OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-2-15(18)11-14-7-6-8-16(12-14)21-13-17(20)19-9-4-3-5-10-19/h6-8,12,15H,2-5,9-11,13,18H2,1H3
InChIKeyFXWIARZWWYHIAJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone

2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone (PubChem CID 60906554) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
PubChem CID60906554
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
SMILESCCC(N)Cc1cccc(OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-2-15(18)11-14-7-6-8-16(12-14)21-13-17(20)19-9-4-3-5-10-19/h6-8,12,15H,2-5,9-11,13,18H2,1H3
InChIKeyFXWIARZWWYHIAJ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907872
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]butan-2-amine
CID 106439644
methyl 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoate
CID 79620949
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
2-[3-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906549
3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79621115
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone (CID 60906554) is 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone is CCC(N)Cc1cccc(OCC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is FXWIARZWWYHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-15(18)11-14-7-6-8-16(12-14)21-13-17(20)19-9-4-3-5-10-19/h6-8,12,15H,2-5,9-11,13,18H2,1H3.
What are the key properties of 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone?
2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 60906554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).