(3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine

C15H16FNO — CID 143190772

IUPAC(3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine
SMILESC[C@@H]1CNCC[C@@H]1C1=CC(F)=C=Cc2ccoc21
InChIInChI=1S/C15H16FNO/c1-10-9-17-6-4-13(10)14-8-12(16)3-2-11-5-7-18-15(11)14/h2,5,7-8,10,13,17H,4,6,9H2,1H3/t10-,13+/m1/s1
InChIKeyWVAHCIFPURWUIE-MFKMUULPSA-N
MW245.30 g/mol
LogP3.39
Rot. Bonds1

About (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine

(3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine (PubChem CID 143190772) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine
PubChem CID143190772
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine
SMILESC[C@@H]1CNCC[C@@H]1C1=CC(F)=C=Cc2ccoc21
InChIInChI=1S/C15H16FNO/c1-10-9-17-6-4-13(10)14-8-12(16)3-2-11-5-7-18-15(11)14/h2,5,7-8,10,13,17H,4,6,9H2,1H3/t10-,13+/m1/s1
InChIKeyWVAHCIFPURWUIE-MFKMUULPSA-N
XLogP3.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine?
The IUPAC name of (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine (CID 143190772) is (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine.
What is the SMILES notation for (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine?
The canonical SMILES for (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine is C[C@@H]1CNCC[C@@H]1C1=CC(F)=C=Cc2ccoc21.
What is the InChIKey of (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine?
The InChIKey is WVAHCIFPURWUIE-MFKMUULPSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-9-17-6-4-13(10)14-8-12(16)3-2-11-5-7-18-15(11)14/h2,5,7-8,10,13,17H,4,6,9H2,1H3/t10-,13+/m1/s1.
What are the key properties of (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine?
(3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine has a molecular weight of 245.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(6-fluorocyclohepta[b]furan-8-yl)-3-methylpiperidine is sourced from PubChem (CID 143190772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).