1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one

C21H27NO — CID 54160942

IUPAC1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
SMILESO=C(CCCCCN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C21H27NO/c23-21(14-3-1-6-15-22-16-7-2-8-17-22)20-13-9-11-18-10-4-5-12-19(18)20/h4-5,9-13H,1-3,6-8,14-17H2
InChIKeyBOAGMEWQQQIIDT-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.07
Rot. Bonds7

About 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one

1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one (PubChem CID 54160942) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
PubChem CID54160942
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
SMILESO=C(CCCCCN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C21H27NO/c23-21(14-3-1-6-15-22-16-7-2-8-17-22)20-13-9-11-18-10-4-5-12-19(18)20/h4-5,9-13H,1-3,6-8,14-17H2
InChIKeyBOAGMEWQQQIIDT-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
CID 54276686
1-naphthalen-1-yldodecan-1-one
CID 3424169
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1,8-dinaphthalen-1-yloctane-1,2,8-trione
CID 140639946
1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
CID 3046060
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
CID 149146668
1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
CID 122483263
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
CID 157326026
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
6-[2-naphthalen-1-ylethyl(4-pyrrolidin-1-ylbutyl)amino]hexanoic acid
CID 142707496

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one?
The IUPAC name of 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one (CID 54160942) is 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one?
The canonical SMILES for 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one is O=C(CCCCCN1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one?
The InChIKey is BOAGMEWQQQIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-21(14-3-1-6-15-22-16-7-2-8-17-22)20-13-9-11-18-10-4-5-12-19(18)20/h4-5,9-13H,1-3,6-8,14-17H2.
What are the key properties of 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one?
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one has a molecular weight of 309.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 54160942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).