(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine

C13H26FNO — CID 145341735

IUPAC(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine
SMILESCCCCC(CCC)O[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C13H26FNO/c1-3-5-7-11(6-4-2)16-13-8-9-15-10-12(13)14/h11-13,15H,3-10H2,1-2H3/t11?,12-,13+/m0/s1
InChIKeySDBSAMRNSNHBSY-LWNNLKQOSA-N
MW231.35 g/mol
LogP3.06
Rot. Bonds7

About (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine

(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine (PubChem CID 145341735) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine
PubChem CID145341735
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine
SMILESCCCCC(CCC)O[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C13H26FNO/c1-3-5-7-11(6-4-2)16-13-8-9-15-10-12(13)14/h11-13,15H,3-10H2,1-2H3/t11?,12-,13+/m0/s1
InChIKeySDBSAMRNSNHBSY-LWNNLKQOSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine?
The IUPAC name of (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine (CID 145341735) is (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine?
The canonical SMILES for (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine is CCCCC(CCC)O[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine?
The InChIKey is SDBSAMRNSNHBSY-LWNNLKQOSA-N. The full InChI is InChI=1S/C13H26FNO/c1-3-5-7-11(6-4-2)16-13-8-9-15-10-12(13)14/h11-13,15H,3-10H2,1-2H3/t11?,12-,13+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine?
(3S,4R)-3-fluoro-4-octan-4-yloxypiperidine has a molecular weight of 231.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-octan-4-yloxypiperidine is sourced from PubChem (CID 145341735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).