(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine

C14H16FNS — CID 86590711

IUPAC(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine
SMILESC[C@H]1C[C@@H](c2cc3ccc(F)cc3s2)CCN1
InChIInChI=1S/C14H16FNS/c1-9-6-11(4-5-16-9)13-7-10-2-3-12(15)8-14(10)17-13/h2-3,7-9,11,16H,4-6H2,1H3/t9-,11-/m0/s1
InChIKeyCTISIVKBXRZANW-ONGXEEELSA-N
MW249.35 g/mol
LogP3.90
Rot. Bonds1

About (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine

(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine (PubChem CID 86590711) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine.

Molecular Properties

Compound Name(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine
PubChem CID86590711
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine
SMILESC[C@H]1C[C@@H](c2cc3ccc(F)cc3s2)CCN1
InChIInChI=1S/C14H16FNS/c1-9-6-11(4-5-16-9)13-7-10-2-3-12(15)8-14(10)17-13/h2-3,7-9,11,16H,4-6H2,1H3/t9-,11-/m0/s1
InChIKeyCTISIVKBXRZANW-ONGXEEELSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine?
The IUPAC name of (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine (CID 86590711) is (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine.
What is the SMILES notation for (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine?
The canonical SMILES for (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine is C[C@H]1C[C@@H](c2cc3ccc(F)cc3s2)CCN1.
What is the InChIKey of (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine?
The InChIKey is CTISIVKBXRZANW-ONGXEEELSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-6-11(4-5-16-9)13-7-10-2-3-12(15)8-14(10)17-13/h2-3,7-9,11,16H,4-6H2,1H3/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine?
(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine has a molecular weight of 249.35 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine is sourced from PubChem (CID 86590711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).