4-[[4-(difluoromethyl)phenyl]methyl]piperidine

C13H17F2N — CID 84689877

IUPAC4-[[4-(difluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C13H17F2N/c14-13(15)12-3-1-10(2-4-12)9-11-5-7-16-8-6-11/h1-4,11,13,16H,5-9H2
InChIKeyIWJIOMVAAOIJOE-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.17
Rot. Bonds3

About 4-[[4-(difluoromethyl)phenyl]methyl]piperidine

4-[[4-(difluoromethyl)phenyl]methyl]piperidine (PubChem CID 84689877) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)phenyl]methyl]piperidine
PubChem CID84689877
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-[[4-(difluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C13H17F2N/c14-13(15)12-3-1-10(2-4-12)9-11-5-7-16-8-6-11/h1-4,11,13,16H,5-9H2
InChIKeyIWJIOMVAAOIJOE-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-(azepan-4-ylmethyl)phenol
CID 83261604
4-[(4-iodophenyl)methyl]azepane
CID 83262135
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
CID 12050154
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(difluoromethyl)phenyl]methyl]piperidine (CID 84689877) is 4-[[4-(difluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(difluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(difluoromethyl)phenyl]methyl]piperidine is FC(F)c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(difluoromethyl)phenyl]methyl]piperidine?
The InChIKey is IWJIOMVAAOIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-13(15)12-3-1-10(2-4-12)9-11-5-7-16-8-6-11/h1-4,11,13,16H,5-9H2.
What are the key properties of 4-[[4-(difluoromethyl)phenyl]methyl]piperidine?
4-[[4-(difluoromethyl)phenyl]methyl]piperidine has a molecular weight of 225.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84689877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).