(3S)-3-(fluoromethyl)-5-methylpiperidine

C7H14FN — CID 154687014

IUPAC(3S)-3-(fluoromethyl)-5-methylpiperidine
SMILESCC1CNC[C@@H](CF)C1
InChIInChI=1S/C7H14FN/c1-6-2-7(3-8)5-9-4-6/h6-7,9H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyYIUSAAVYKVATEM-COBSHVIPSA-N
MW131.19 g/mol
LogP1.20
Rot. Bonds1

About (3S)-3-(fluoromethyl)-5-methylpiperidine

(3S)-3-(fluoromethyl)-5-methylpiperidine (PubChem CID 154687014) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-5-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-(fluoromethyl)-5-methylpiperidine
PubChem CID154687014
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(3S)-3-(fluoromethyl)-5-methylpiperidine
SMILESCC1CNC[C@@H](CF)C1
InChIInChI=1S/C7H14FN/c1-6-2-7(3-8)5-9-4-6/h6-7,9H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyYIUSAAVYKVATEM-COBSHVIPSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(fluoromethyl)-5-methylpiperidine?
The IUPAC name of (3S)-3-(fluoromethyl)-5-methylpiperidine (CID 154687014) is (3S)-3-(fluoromethyl)-5-methylpiperidine.
What is the SMILES notation for (3S)-3-(fluoromethyl)-5-methylpiperidine?
The canonical SMILES for (3S)-3-(fluoromethyl)-5-methylpiperidine is CC1CNC[C@@H](CF)C1.
What is the InChIKey of (3S)-3-(fluoromethyl)-5-methylpiperidine?
The InChIKey is YIUSAAVYKVATEM-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14FN/c1-6-2-7(3-8)5-9-4-6/h6-7,9H,2-5H2,1H3/t6?,7-/m1/s1.
What are the key properties of (3S)-3-(fluoromethyl)-5-methylpiperidine?
(3S)-3-(fluoromethyl)-5-methylpiperidine has a molecular weight of 131.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(fluoromethyl)-5-methylpiperidine is sourced from PubChem (CID 154687014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).