3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine

C14H19F2N — CID 84701353

IUPAC3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
SMILESCC(F)(F)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C14H19F2N/c1-14(15,16)13-6-2-4-11(9-13)8-12-5-3-7-17-10-12/h2,4,6,9,12,17H,3,5,7-8,10H2,1H3
InChIKeyDNBKRKTYVNKQPP-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.34
Rot. Bonds3

About 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine

3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine (PubChem CID 84701353) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
PubChem CID84701353
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
SMILESCC(F)(F)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C14H19F2N/c1-14(15,16)13-6-2-4-11(9-13)8-12-5-3-7-17-10-12/h2,4,6,9,12,17H,3,5,7-8,10H2,1H3
InChIKeyDNBKRKTYVNKQPP-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
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CID 117498825
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine (CID 84701353) is 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine is CC(F)(F)c1cccc(CC2CCCNC2)c1.
What is the InChIKey of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine?
The InChIKey is DNBKRKTYVNKQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(15,16)13-6-2-4-11(9-13)8-12-5-3-7-17-10-12/h2,4,6,9,12,17H,3,5,7-8,10H2,1H3.
What are the key properties of 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine?
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine has a molecular weight of 239.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84701353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).