(5-fluorothiophen-2-yl)-piperidin-4-ylmethanone

C10H12FNOS — CID 66627882

IUPAC(5-fluorothiophen-2-yl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(F)s1)C1CCNCC1
InChIInChI=1S/C10H12FNOS/c11-9-2-1-8(14-9)10(13)7-3-5-12-6-4-7/h1-2,7,12H,3-6H2
InChIKeySPHXPVZWDXUKMH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.07
Rot. Bonds2

About (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone

(5-fluorothiophen-2-yl)-piperidin-4-ylmethanone (PubChem CID 66627882) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-fluorothiophen-2-yl)-piperidin-4-ylmethanone
PubChem CID66627882
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name(5-fluorothiophen-2-yl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(F)s1)C1CCNCC1
InChIInChI=1S/C10H12FNOS/c11-9-2-1-8(14-9)10(13)7-3-5-12-6-4-7/h1-2,7,12H,3-6H2
InChIKeySPHXPVZWDXUKMH-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone?
The IUPAC name of (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone (CID 66627882) is (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone is O=C(c1ccc(F)s1)C1CCNCC1.
What is the InChIKey of (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone?
The InChIKey is SPHXPVZWDXUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-9-2-1-8(14-9)10(13)7-3-5-12-6-4-7/h1-2,7,12H,3-6H2.
What are the key properties of (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone?
(5-fluorothiophen-2-yl)-piperidin-4-ylmethanone has a molecular weight of 213.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorothiophen-2-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 66627882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).