(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine

C9H18FN — CID 164801916

IUPAC(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine
SMILESCC(C)C1CNC[C@@H](CF)C1
InChIInChI=1S/C9H18FN/c1-7(2)9-3-8(4-10)5-11-6-9/h7-9,11H,3-6H2,1-2H3/t8-,9?/m1/s1
InChIKeyBULMAPOIXAOZEH-VEDVMXKPSA-N
MW159.25 g/mol
LogP1.84
Rot. Bonds2

About (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine

(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine (PubChem CID 164801916) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine
PubChem CID164801916
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine
SMILESCC(C)C1CNC[C@@H](CF)C1
InChIInChI=1S/C9H18FN/c1-7(2)9-3-8(4-10)5-11-6-9/h7-9,11H,3-6H2,1-2H3/t8-,9?/m1/s1
InChIKeyBULMAPOIXAOZEH-VEDVMXKPSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.84
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-propan-2-ylpiperidine?
The IUPAC name of (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine (CID 164801916) is (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine.
What is the SMILES notation for (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine?
The canonical SMILES for (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine is CC(C)C1CNC[C@@H](CF)C1.
What is the InChIKey of (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine?
The InChIKey is BULMAPOIXAOZEH-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)9-3-8(4-10)5-11-6-9/h7-9,11H,3-6H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine?
(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine is sourced from PubChem (CID 164801916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).