4-[(2S)-2-fluoropropoxy]piperidine

C8H16FNO — CID 86694328

IUPAC4-[(2S)-2-fluoropropoxy]piperidine
SMILESC[C@H](F)COC1CCNCC1
InChIInChI=1S/C8H16FNO/c1-7(9)6-11-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyXZBJBQGIDVPFMI-ZETCQYMHSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About 4-[(2S)-2-fluoropropoxy]piperidine

4-[(2S)-2-fluoropropoxy]piperidine (PubChem CID 86694328) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-[(2S)-2-fluoropropoxy]piperidine.

Molecular Properties

Compound Name4-[(2S)-2-fluoropropoxy]piperidine
PubChem CID86694328
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-[(2S)-2-fluoropropoxy]piperidine
SMILESC[C@H](F)COC1CCNCC1
InChIInChI=1S/C8H16FNO/c1-7(9)6-11-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyXZBJBQGIDVPFMI-ZETCQYMHSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-fluoropropoxy]piperidine?
The IUPAC name of 4-[(2S)-2-fluoropropoxy]piperidine (CID 86694328) is 4-[(2S)-2-fluoropropoxy]piperidine.
What is the SMILES notation for 4-[(2S)-2-fluoropropoxy]piperidine?
The canonical SMILES for 4-[(2S)-2-fluoropropoxy]piperidine is C[C@H](F)COC1CCNCC1.
What is the InChIKey of 4-[(2S)-2-fluoropropoxy]piperidine?
The InChIKey is XZBJBQGIDVPFMI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(9)6-11-8-2-4-10-5-3-8/h7-8,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 4-[(2S)-2-fluoropropoxy]piperidine?
4-[(2S)-2-fluoropropoxy]piperidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-fluoropropoxy]piperidine is sourced from PubChem (CID 86694328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).