1-[3-(3,4-difluorophenoxy)butyl]piperidine

C15H21F2NO — CID 173309705

IUPAC1-[3-(3,4-difluorophenoxy)butyl]piperidine
SMILESCC(CCN1CCCCC1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-12(7-10-18-8-3-2-4-9-18)19-13-5-6-14(16)15(17)11-13/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyGYGMTDWIJDVINU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.61
Rot. Bonds5

About 1-[3-(3,4-difluorophenoxy)butyl]piperidine

1-[3-(3,4-difluorophenoxy)butyl]piperidine (PubChem CID 173309705) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenoxy)butyl]piperidine
PubChem CID173309705
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-[3-(3,4-difluorophenoxy)butyl]piperidine
SMILESCC(CCN1CCCCC1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-12(7-10-18-8-3-2-4-9-18)19-13-5-6-14(16)15(17)11-13/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyGYGMTDWIJDVINU-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3,4-difluorophenoxy)butyl]piperidine 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

4-[4-(azepan-1-yl)butan-2-yloxy]-2-methylaniline
CID 82037200
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
(2R)-2-(3,4-difluorophenoxy)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 96545944
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
7-[(2S)-2-(3,4-difluorophenoxy)propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907429
7-[(2R)-2-(3,4-difluorophenoxy)propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907559

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
The IUPAC name of 1-[3-(3,4-difluorophenoxy)butyl]piperidine (CID 173309705) is 1-[3-(3,4-difluorophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
The canonical SMILES for 1-[3-(3,4-difluorophenoxy)butyl]piperidine is CC(CCN1CCCCC1)Oc1ccc(F)c(F)c1.
What is the InChIKey of 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
The InChIKey is GYGMTDWIJDVINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-12(7-10-18-8-3-2-4-9-18)19-13-5-6-14(16)15(17)11-13/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 1-[3-(3,4-difluorophenoxy)butyl]piperidine?
1-[3-(3,4-difluorophenoxy)butyl]piperidine has a molecular weight of 269.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenoxy)butyl]piperidine is sourced from PubChem (CID 173309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).