(3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine

C14H22FN — CID 141425005

IUPAC(3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine
SMILESF[C@@H]1CNCC[C@H]1C1CC12C1CCC2CC1
InChIInChI=1S/C14H22FN/c15-13-8-16-6-5-11(13)12-7-14(12)9-1-2-10(14)4-3-9/h9-13,16H,1-8H2/t9?,10?,11-,12?,13+,14?/m0/s1
InChIKeyYDXGAQZXMQBZMN-XBQBKKMYSA-N
MW223.33 g/mol
LogP2.76
Rot. Bonds1

About (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine

(3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine (PubChem CID 141425005) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine
PubChem CID141425005
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name(3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine
SMILESF[C@@H]1CNCC[C@H]1C1CC12C1CCC2CC1
InChIInChI=1S/C14H22FN/c15-13-8-16-6-5-11(13)12-7-14(12)9-1-2-10(14)4-3-9/h9-13,16H,1-8H2/t9?,10?,11-,12?,13+,14?/m0/s1
InChIKeyYDXGAQZXMQBZMN-XBQBKKMYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine (CID 141425005) is (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine is F[C@@H]1CNCC[C@H]1C1CC12C1CCC2CC1.
What is the InChIKey of (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine?
The InChIKey is YDXGAQZXMQBZMN-XBQBKKMYSA-N. The full InChI is InChI=1S/C14H22FN/c15-13-8-16-6-5-11(13)12-7-14(12)9-1-2-10(14)4-3-9/h9-13,16H,1-8H2/t9?,10?,11-,12?,13+,14?/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine?
(3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine has a molecular weight of 223.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-spiro[bicyclo[2.2.1]heptane-7,2'-cyclopropane]-1'-ylpiperidine is sourced from PubChem (CID 141425005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).