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

C13H18FN — CID 84675538

IUPAC4-[[4-(fluoromethyl)phenyl]methyl]piperidine
SMILESFCc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C13H18FN/c14-10-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12/h1-4,12,15H,5-10H2
InChIKeyCAWISWDZDRCSGK-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.70
Rot. Bonds3

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

4-[[4-(fluoromethyl)phenyl]methyl]piperidine (PubChem CID 84675538) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-[[4-(fluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(fluoromethyl)phenyl]methyl]piperidine
PubChem CID84675538
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-[[4-(fluoromethyl)phenyl]methyl]piperidine
SMILESFCc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C13H18FN/c14-10-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12/h1-4,12,15H,5-10H2
InChIKeyCAWISWDZDRCSGK-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-(azepan-4-ylmethyl)phenol
CID 83261604
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
4-[(4-iodophenyl)methyl]azepane
CID 83262135

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(fluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(fluoromethyl)phenyl]methyl]piperidine (CID 84675538) is 4-[[4-(fluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(fluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(fluoromethyl)phenyl]methyl]piperidine is FCc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(fluoromethyl)phenyl]methyl]piperidine?
The InChIKey is CAWISWDZDRCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-10-13-3-1-11(2-4-13)9-12-5-7-15-8-6-12/h1-4,12,15H,5-10H2.
What are the key properties of 4-[[4-(fluoromethyl)phenyl]methyl]piperidine?
4-[[4-(fluoromethyl)phenyl]methyl]piperidine has a molecular weight of 207.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(fluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84675538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).