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

C21H25F2NO — CID 134151773

IUPAC4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
SMILESCOc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H25F2NO/c1-25-20-11-8-18(9-12-20)15-24-14-13-21(22,23)19(16-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3
InChIKeyDCQXOLJMRQNFGP-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.79
Rot. Bonds6

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

4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine (PubChem CID 134151773) has the molecular formula C21H25F2NO and a molecular weight of 345.43 g/mol. Its IUPAC name is 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
PubChem CID134151773
Molecular FormulaC21H25F2NO
Molecular Weight345.43 g/mol
Exact Mass345.19
IUPAC Name4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine
SMILESCOc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1
InChIInChI=1S/C21H25F2NO/c1-25-20-11-8-18(9-12-20)15-24-14-13-21(22,23)19(16-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3
InChIKeyDCQXOLJMRQNFGP-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine (CID 134151773) is 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine is COc1ccc(CN2CCC(F)(F)C(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
The InChIKey is DCQXOLJMRQNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO/c1-25-20-11-8-18(9-12-20)15-24-14-13-21(22,23)19(16-24)10-7-17-5-3-2-4-6-17/h2-6,8-9,11-12,19H,7,10,13-16H2,1H3.
What are the key properties of 4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine?
4,4-difluoro-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine has a molecular weight of 345.43 g/mol, XLogP of 4.79, 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-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134151773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).