3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine

C14H22FNS — CID 112564793

IUPAC3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine
SMILESCCc1ccc(CC(C)(F)C2CCCNC2)s1
InChIInChI=1S/C14H22FNS/c1-3-12-6-7-13(17-12)9-14(2,15)11-5-4-8-16-10-11/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyFXXYJPFWTIGOJI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.58
Rot. Bonds4

About 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine

3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine (PubChem CID 112564793) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine
PubChem CID112564793
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC Name3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine
SMILESCCc1ccc(CC(C)(F)C2CCCNC2)s1
InChIInChI=1S/C14H22FNS/c1-3-12-6-7-13(17-12)9-14(2,15)11-5-4-8-16-10-11/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyFXXYJPFWTIGOJI-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561207
(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561208
(1S,5S)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561209
4-(2-Thienyl)piperidine
CID 19095574
8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
(cis)-2-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561131
(trans)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561210
(cis)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561211
1-(5-(Trifluoromethyl)thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561251
(1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561256
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035
N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126036

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
The IUPAC name of 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine (CID 112564793) is 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
The canonical SMILES for 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine is CCc1ccc(CC(C)(F)C2CCCNC2)s1.
What is the InChIKey of 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
The InChIKey is FXXYJPFWTIGOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-3-12-6-7-13(17-12)9-14(2,15)11-5-4-8-16-10-11/h6-7,11,16H,3-5,8-10H2,1-2H3.
What are the key properties of 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine?
3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine has a molecular weight of 255.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylthiophen-2-yl)-2-fluoropropan-2-yl]piperidine is sourced from PubChem (CID 112564793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).