3-[difluoro(naphthalen-2-yl)methyl]piperidine

C16H17F2N — CID 116838927

IUPAC3-[difluoro(naphthalen-2-yl)methyl]piperidine
SMILESFC(F)(c1ccc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C16H17F2N/c17-16(18,15-6-3-9-19-11-15)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15,19H,3,6,9,11H2
InChIKeyLYPJINDOKFLKDG-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.93
Rot. Bonds2

About 3-[difluoro(naphthalen-2-yl)methyl]piperidine

3-[difluoro(naphthalen-2-yl)methyl]piperidine (PubChem CID 116838927) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-[difluoro(naphthalen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[difluoro(naphthalen-2-yl)methyl]piperidine
PubChem CID116838927
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-[difluoro(naphthalen-2-yl)methyl]piperidine
SMILESFC(F)(c1ccc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C16H17F2N/c17-16(18,15-6-3-9-19-11-15)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15,19H,3,6,9,11H2
InChIKeyLYPJINDOKFLKDG-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
CID 112564864
3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992772
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
3-[1-fluoro-1-(4-propan-2-ylphenyl)ethyl]piperidine
CID 112564886
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-[azepan-4-yl(difluoro)methyl]phenol
CID 84728175
dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methanol
CID 2733810
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(naphthalen-2-yl)methyl]piperidine?
The IUPAC name of 3-[difluoro(naphthalen-2-yl)methyl]piperidine (CID 116838927) is 3-[difluoro(naphthalen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[difluoro(naphthalen-2-yl)methyl]piperidine?
The canonical SMILES for 3-[difluoro(naphthalen-2-yl)methyl]piperidine is FC(F)(c1ccc2ccccc2c1)C1CCCNC1.
What is the InChIKey of 3-[difluoro(naphthalen-2-yl)methyl]piperidine?
The InChIKey is LYPJINDOKFLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c17-16(18,15-6-3-9-19-11-15)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15,19H,3,6,9,11H2.
What are the key properties of 3-[difluoro(naphthalen-2-yl)methyl]piperidine?
3-[difluoro(naphthalen-2-yl)methyl]piperidine has a molecular weight of 261.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(naphthalen-2-yl)methyl]piperidine is sourced from PubChem (CID 116838927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).