(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine

C9H18FN — CID 89199179

IUPAC(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CCN(C)C[C@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)8-4-5-11(3)6-9(8)10/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyXGPHMZXSBFVLFC-RKDXNWHRSA-N
MW159.25 g/mol
LogP1.93
Rot. Bonds1

About (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine

(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine (PubChem CID 89199179) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
PubChem CID89199179
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CCN(C)C[C@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)8-4-5-11(3)6-9(8)10/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyXGPHMZXSBFVLFC-RKDXNWHRSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine (CID 89199179) is (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine is CC(C)[C@H]1CCN(C)C[C@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The InChIKey is XGPHMZXSBFVLFC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)8-4-5-11(3)6-9(8)10/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 89199179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).