1-(3-aminophenyl)-2-piperidin-2-ylethanone

C13H18N2O — CID 84683969

IUPAC1-(3-aminophenyl)-2-piperidin-2-ylethanone
SMILESNc1cccc(C(=O)CC2CCCCN2)c1
InChIInChI=1S/C13H18N2O/c14-11-5-3-4-10(8-11)13(16)9-12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9,14H2
InChIKeyXYNKELUILPKELZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.98
Rot. Bonds3

About 1-(3-aminophenyl)-2-piperidin-2-ylethanone

1-(3-aminophenyl)-2-piperidin-2-ylethanone (PubChem CID 84683969) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-piperidin-2-ylethanone
PubChem CID84683969
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-aminophenyl)-2-piperidin-2-ylethanone
SMILESNc1cccc(C(=O)CC2CCCCN2)c1
InChIInChI=1S/C13H18N2O/c14-11-5-3-4-10(8-11)13(16)9-12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9,14H2
InChIKeyXYNKELUILPKELZ-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
CID 105497824
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-(azepan-2-yl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 79538706
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
2-(azepan-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 81467196
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(3-aminophenyl)-2-piperidin-2-ylethanone (CID 84683969) is 1-(3-aminophenyl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-piperidin-2-ylethanone is Nc1cccc(C(=O)CC2CCCCN2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-piperidin-2-ylethanone?
The InChIKey is XYNKELUILPKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-5-3-4-10(8-11)13(16)9-12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9,14H2.
What are the key properties of 1-(3-aminophenyl)-2-piperidin-2-ylethanone?
1-(3-aminophenyl)-2-piperidin-2-ylethanone has a molecular weight of 218.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 84683969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).