(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine

C10H20FNO — CID 121261849

IUPAC(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@@H]1[C@H](F)CNCC1(C)C
InChIInChI=1S/C10H20FNO/c1-7(2)13-9-8(11)5-12-6-10(9,3)4/h7-9,12H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyJVNUFBSOPQFGCE-RKDXNWHRSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds2

About (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine

(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine (PubChem CID 121261849) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine
PubChem CID121261849
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@@H]1[C@H](F)CNCC1(C)C
InChIInChI=1S/C10H20FNO/c1-7(2)13-9-8(11)5-12-6-10(9,3)4/h7-9,12H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyJVNUFBSOPQFGCE-RKDXNWHRSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine?
The IUPAC name of (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine (CID 121261849) is (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine.
What is the SMILES notation for (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine?
The canonical SMILES for (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine is CC(C)O[C@@H]1[C@H](F)CNCC1(C)C.
What is the InChIKey of (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine?
The InChIKey is JVNUFBSOPQFGCE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(2)13-9-8(11)5-12-6-10(9,3)4/h7-9,12H,5-6H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine?
(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 121261849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).