4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine

C19H21F2NO — CID 25263317

IUPAC4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine
SMILESCc1c(OCc2ccc(F)c(F)c2)cccc1C1CCNCC1
InChIInChI=1S/C19H21F2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3
InChIKeyYVEZDQWTKUXIGP-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.32
Rot. Bonds4

About 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine

4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine (PubChem CID 25263317) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine
PubChem CID25263317
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine
SMILESCc1c(OCc2ccc(F)c(F)c2)cccc1C1CCNCC1
InChIInChI=1S/C19H21F2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3
InChIKeyYVEZDQWTKUXIGP-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(+)-Tomoxetine
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CID 23113096
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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine?
The IUPAC name of 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine (CID 25263317) is 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine.
What is the SMILES notation for 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine?
The canonical SMILES for 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine is Cc1c(OCc2ccc(F)c(F)c2)cccc1C1CCNCC1.
What is the InChIKey of 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine?
The InChIKey is YVEZDQWTKUXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-13-16(15-7-9-22-10-8-15)3-2-4-19(13)23-12-14-5-6-17(20)18(21)11-14/h2-6,11,15,22H,7-10,12H2,1H3.
What are the key properties of 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine?
4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine has a molecular weight of 317.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperidine is sourced from PubChem (CID 25263317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).