3-benzyl-3-(fluoromethyl)piperidine

C13H18FN — CID 84779719

IUPAC3-benzyl-3-(fluoromethyl)piperidine
SMILESFCC1(Cc2ccccc2)CCCNC1
InChIInChI=1S/C13H18FN/c14-10-13(7-4-8-15-11-13)9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2
InChIKeyPUCSFMYXHXJDOF-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.57
Rot. Bonds3

About 3-benzyl-3-(fluoromethyl)piperidine

3-benzyl-3-(fluoromethyl)piperidine (PubChem CID 84779719) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-benzyl-3-(fluoromethyl)piperidine.

Molecular Properties

Compound Name3-benzyl-3-(fluoromethyl)piperidine
PubChem CID84779719
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-benzyl-3-(fluoromethyl)piperidine
SMILESFCC1(Cc2ccccc2)CCCNC1
InChIInChI=1S/C13H18FN/c14-10-13(7-4-8-15-11-13)9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2
InChIKeyPUCSFMYXHXJDOF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123751014
(3-benzylpyrrolidin-3-yl)methanamine
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[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
CID 66059792
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
CID 68829570
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
3-benzyl-3-methylpyrrolidine
CID 58254769
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-(fluoromethyl)piperidine?
The IUPAC name of 3-benzyl-3-(fluoromethyl)piperidine (CID 84779719) is 3-benzyl-3-(fluoromethyl)piperidine.
What is the SMILES notation for 3-benzyl-3-(fluoromethyl)piperidine?
The canonical SMILES for 3-benzyl-3-(fluoromethyl)piperidine is FCC1(Cc2ccccc2)CCCNC1.
What is the InChIKey of 3-benzyl-3-(fluoromethyl)piperidine?
The InChIKey is PUCSFMYXHXJDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-10-13(7-4-8-15-11-13)9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2.
What are the key properties of 3-benzyl-3-(fluoromethyl)piperidine?
3-benzyl-3-(fluoromethyl)piperidine has a molecular weight of 207.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-(fluoromethyl)piperidine is sourced from PubChem (CID 84779719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).