1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone

C16H24N2O2 — CID 104528611

IUPAC1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
SMILESCCCOC1CCCN(c2ccc(C(C)=O)c(N)c2)C1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-5-4-8-18(11-14)13-6-7-15(12(2)19)16(17)10-13/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyDPVKZQOWGDDDEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone

1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone (PubChem CID 104528611) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
PubChem CID104528611
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
SMILESCCCOC1CCCN(c2ccc(C(C)=O)c(N)c2)C1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-5-4-8-18(11-14)13-6-7-15(12(2)19)16(17)10-13/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyDPVKZQOWGDDDEX-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967445
2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
CID 83004888
1-[5-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967366
1-[2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 104528817
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
1-[2-amino-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanone
CID 104529165
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
CID 113437384
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone (CID 104528611) is 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone is CCCOC1CCCN(c2ccc(C(C)=O)c(N)c2)C1.
What is the InChIKey of 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone?
The InChIKey is DPVKZQOWGDDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-20-14-5-4-8-18(11-14)13-6-7-15(12(2)19)16(17)10-13/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone?
1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 104528611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).