1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one

C16H24N2O2 — CID 119437418

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C16H24N2O2/c1-12(17)15-10-6-7-11-18(15)16(19)13(2)20-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11,17H2,1-2H3
InChIKeyTULFANYSIGNCFV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one

1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 119437418) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID119437418
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C16H24N2O2/c1-12(17)15-10-6-7-11-18(15)16(19)13(2)20-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11,17H2,1-2H3
InChIKeyTULFANYSIGNCFV-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-one;hydrochloride
CID 119436728
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one;hydrochloride
CID 119436429
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
CID 90696413
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one (CID 119437418) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCCCC1C(C)N.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is TULFANYSIGNCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17)15-10-6-7-11-18(15)16(19)13(2)20-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11,17H2,1-2H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 119437418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).