4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine

C20H25F2NO — CID 146440632

IUPAC4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine
SMILESCC(C)c1cc2ccccc2cc1OCCN1CCC(F)(F)CC1
InChIInChI=1S/C20H25F2NO/c1-15(2)18-13-16-5-3-4-6-17(16)14-19(18)24-12-11-23-9-7-20(21,22)8-10-23/h3-6,13-15H,7-12H2,1-2H3
InChIKeyDXBWLIIECPXWEV-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.07
Rot. Bonds5

About 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine

4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine (PubChem CID 146440632) has the molecular formula C20H25F2NO and a molecular weight of 333.42 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine
PubChem CID146440632
Molecular FormulaC20H25F2NO
Molecular Weight333.42 g/mol
Exact Mass333.19
IUPAC Name4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine
SMILESCC(C)c1cc2ccccc2cc1OCCN1CCC(F)(F)CC1
InChIInChI=1S/C20H25F2NO/c1-15(2)18-13-16-5-3-4-6-17(16)14-19(18)24-12-11-23-9-7-20(21,22)8-10-23/h3-6,13-15H,7-12H2,1-2H3
InChIKeyDXBWLIIECPXWEV-UHFFFAOYSA-N
XLogP5.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine
CID 146440633
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
4-[2-(5-phenyl-2-propan-2-ylphenoxy)ethyl]morpholine
CID 146386321
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
1-benzyl-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine;oxalic acid
CID 2924395
1-[2-(2-ethoxyphenoxy)ethyl]-N,4-dimethylpiperidin-4-amine
CID 115305364
4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
CID 99931082
4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
CID 14407118
4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
CID 123280035
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 2944173
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
CID 20846521

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine (CID 146440632) is 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine is CC(C)c1cc2ccccc2cc1OCCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine?
The InChIKey is DXBWLIIECPXWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO/c1-15(2)18-13-16-5-3-4-6-17(16)14-19(18)24-12-11-23-9-7-20(21,22)8-10-23/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine?
4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine has a molecular weight of 333.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine is sourced from PubChem (CID 146440632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).