9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one

C20H30FNO — CID 171353148

IUPAC9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
SMILESO=C(CCCCCCCCc1ccccc1F)N1CCCCC1
InChIInChI=1S/C20H30FNO/c21-19-14-9-8-13-18(19)12-6-3-1-2-4-7-15-20(23)22-16-10-5-11-17-22/h8-9,13-14H,1-7,10-12,15-17H2
InChIKeyDDLVCTVWFYKLMQ-UHFFFAOYSA-N
MW319.46 g/mol
LogP5.11
Rot. Bonds9

About 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one

9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one (PubChem CID 171353148) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one.

Molecular Properties

Compound Name9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
PubChem CID171353148
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
SMILESO=C(CCCCCCCCc1ccccc1F)N1CCCCC1
InChIInChI=1S/C20H30FNO/c21-19-14-9-8-13-18(19)12-6-3-1-2-4-7-15-20(23)22-16-10-5-11-17-22/h8-9,13-14H,1-7,10-12,15-17H2
InChIKeyDDLVCTVWFYKLMQ-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 110611599
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413324
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78788101
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one?
The IUPAC name of 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one (CID 171353148) is 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one.
What is the SMILES notation for 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one?
The canonical SMILES for 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one is O=C(CCCCCCCCc1ccccc1F)N1CCCCC1.
What is the InChIKey of 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one?
The InChIKey is DDLVCTVWFYKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/c21-19-14-9-8-13-18(19)12-6-3-1-2-4-7-15-20(23)22-16-10-5-11-17-22/h8-9,13-14H,1-7,10-12,15-17H2.
What are the key properties of 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one?
9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one has a molecular weight of 319.46 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one is sourced from PubChem (CID 171353148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).