4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine

C21H24F3NO — CID 134150651

IUPAC4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
SMILESCOc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1F
InChIInChI=1S/C21H24F3NO/c1-26-20-10-8-17(13-19(20)22)14-25-12-11-21(23,24)18(15-25)9-7-16-5-3-2-4-6-16/h2-6,8,10,13,18H,7,9,11-12,14-15H2,1H3
InChIKeyZCEZESWKLAURKG-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.92
Rot. Bonds6

About 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine

4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine (PubChem CID 134150651) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
PubChem CID134150651
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
SMILESCOc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1F
InChIInChI=1S/C21H24F3NO/c1-26-20-10-8-17(13-19(20)22)14-25-12-11-21(23,24)18(15-25)9-7-16-5-3-2-4-6-16/h2-6,8,10,13,18H,7,9,11-12,14-15H2,1H3
InChIKeyZCEZESWKLAURKG-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11283
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1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
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CID 9835304
4-Benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine
CID 10223051
1-benzyl-N-(4-methoxybenzyl)piperidin-4-amine
CID 784035
4-(4-Methoxybenzyl)morpholine
CID 782439
(S)-1-Propyl-3-[3-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidine
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1-[4-(4-Methoxy-phenyl)-but-3-ynyl]-4-phenyl-1,2,3,6-tetrahydro-pyridine
CID 10543539

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine (CID 134150651) is 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine is COc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1F.
What is the InChIKey of 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
The InChIKey is ZCEZESWKLAURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-26-20-10-8-17(13-19(20)22)14-25-12-11-21(23,24)18(15-25)9-7-16-5-3-2-4-6-16/h2-6,8,10,13,18H,7,9,11-12,14-15H2,1H3.
What are the key properties of 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine has a molecular weight of 363.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134150651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).