4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine

C24H25F2N — CID 134146750

IUPAC4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine
SMILESFC1(F)CCN(Cc2ccc3ccccc3c2)CC1CCc1ccccc1
InChIInChI=1S/C24H25F2N/c25-24(26)14-15-27(18-23(24)13-11-19-6-2-1-3-7-19)17-20-10-12-21-8-4-5-9-22(21)16-20/h1-10,12,16,23H,11,13-15,17-18H2
InChIKeyQGYSVFJCSLYRMY-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.93
Rot. Bonds5

About 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine

4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine (PubChem CID 134146750) has the molecular formula C24H25F2N and a molecular weight of 365.47 g/mol. Its IUPAC name is 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine
PubChem CID134146750
Molecular FormulaC24H25F2N
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine
SMILESFC1(F)CCN(Cc2ccc3ccccc3c2)CC1CCc1ccccc1
InChIInChI=1S/C24H25F2N/c25-24(26)14-15-27(18-23(24)13-11-19-6-2-1-3-7-19)17-20-10-12-21-8-4-5-9-22(21)16-20/h1-10,12,16,23H,11,13-15,17-18H2
InChIKeyQGYSVFJCSLYRMY-UHFFFAOYSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine (CID 134146750) is 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine is FC1(F)CCN(Cc2ccc3ccccc3c2)CC1CCc1ccccc1.
What is the InChIKey of 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine?
The InChIKey is QGYSVFJCSLYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N/c25-24(26)14-15-27(18-23(24)13-11-19-6-2-1-3-7-19)17-20-10-12-21-8-4-5-9-22(21)16-20/h1-10,12,16,23H,11,13-15,17-18H2.
What are the key properties of 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine?
4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine has a molecular weight of 365.47 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(naphthalen-2-ylmethyl)-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134146750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).