2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one

C17H24N2O — CID 115055836

IUPAC2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C17H24N2O/c1-13(16(20)19-10-3-2-4-11-19)14-6-5-7-15(12-14)17(18)8-9-17/h5-7,12-13H,2-4,8-11,18H2,1H3
InChIKeyQKOUINOEGRHZGC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.75
Rot. Bonds3

About 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one

2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 115055836) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one
PubChem CID115055836
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C17H24N2O/c1-13(16(20)19-10-3-2-4-11-19)14-6-5-7-15(12-14)17(18)8-9-17/h5-7,12-13H,2-4,8-11,18H2,1H3
InChIKeyQKOUINOEGRHZGC-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
CID 117112372
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
CID 84779678
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 171797905
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 106591144
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one (CID 115055836) is 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is QKOUINOEGRHZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(16(20)19-10-3-2-4-11-19)14-6-5-7-15(12-14)17(18)8-9-17/h5-7,12-13H,2-4,8-11,18H2,1H3.
What are the key properties of 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one?
2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115055836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).