1-benzyl-3-fluoro-3-methylpiperidine

C13H18FN — CID 136545779

IUPAC1-benzyl-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H18FN/c1-13(14)8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyUOPLVZRQSDIMIR-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.01
Rot. Bonds2

About 1-benzyl-3-fluoro-3-methylpiperidine

1-benzyl-3-fluoro-3-methylpiperidine (PubChem CID 136545779) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-benzyl-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-3-fluoro-3-methylpiperidine
PubChem CID136545779
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-benzyl-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H18FN/c1-13(14)8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKeyUOPLVZRQSDIMIR-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122029468
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
1-benzylpyrrolidine;propane
CID 143692089
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-fluoro-3-methylpiperidine?
The IUPAC name of 1-benzyl-3-fluoro-3-methylpiperidine (CID 136545779) is 1-benzyl-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 1-benzyl-3-fluoro-3-methylpiperidine?
The canonical SMILES for 1-benzyl-3-fluoro-3-methylpiperidine is CC1(F)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-fluoro-3-methylpiperidine?
The InChIKey is UOPLVZRQSDIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(14)8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 1-benzyl-3-fluoro-3-methylpiperidine?
1-benzyl-3-fluoro-3-methylpiperidine has a molecular weight of 207.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 136545779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).