1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one

C17H26N2O — CID 54276686

IUPAC1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
SMILESNc1ccccc1C(=O)CCCCCN1CCCCC1
InChIInChI=1S/C17H26N2O/c18-16-10-5-4-9-15(16)17(20)11-3-1-6-12-19-13-7-2-8-14-19/h4-5,9-10H,1-3,6-8,11-14,18H2
InChIKeyVUYDCYJQBCHTEU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one

1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one (PubChem CID 54276686) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
PubChem CID54276686
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
SMILESNc1ccccc1C(=O)CCCCCN1CCCCC1
InChIInChI=1S/C17H26N2O/c18-16-10-5-4-9-15(16)17(20)11-3-1-6-12-19-13-7-2-8-14-19/h4-5,9-10H,1-3,6-8,11-14,18H2
InChIKeyVUYDCYJQBCHTEU-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-(2-chloro-4-methylphenyl)-6-piperidin-1-ylhexan-1-one
CID 54134495
1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
CID 3046060
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
CID 19081864

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one?
The IUPAC name of 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one (CID 54276686) is 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one?
The canonical SMILES for 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one is Nc1ccccc1C(=O)CCCCCN1CCCCC1.
What is the InChIKey of 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one?
The InChIKey is VUYDCYJQBCHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16-10-5-4-9-15(16)17(20)11-3-1-6-12-19-13-7-2-8-14-19/h4-5,9-10H,1-3,6-8,11-14,18H2.
What are the key properties of 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one?
1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 54276686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).