4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine

C13H19FN2 — CID 142575265

IUPAC4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
SMILESC=CC1=CCC(C2CCN(CCF)CC2)=N1
InChIInChI=1S/C13H19FN2/c1-2-12-3-4-13(15-12)11-5-8-16(9-6-11)10-7-14/h2-3,11H,1,4-10H2
InChIKeyHITFNDPPSWPVAM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.58
Rot. Bonds4

About 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine

4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine (PubChem CID 142575265) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine.

Molecular Properties

Compound Name4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
PubChem CID142575265
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
SMILESC=CC1=CCC(C2CCN(CCF)CC2)=N1
InChIInChI=1S/C13H19FN2/c1-2-12-3-4-13(15-12)11-5-8-16(9-6-11)10-7-14/h2-3,11H,1,4-10H2
InChIKeyHITFNDPPSWPVAM-UHFFFAOYSA-N
XLogP2.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(E)-N-[1,5-difluoro-6-[4-(5-fluorocyclohepta-1,4,6-trien-1-yl)piperidin-1-yl]hepta-2,4,6-trien-3-yl]-8-(2,4-dimethyl-3,4-dihydro-2H-pyrrol-5-yl)-N-methyloct-6-en-1-amine
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ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
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4-(5-ethenyl-3H-pyrrol-2-yl)piperidine
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4-(5-ethenyl-3H-pyrrol-2-yl)-1-methylpiperidine
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4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine?
The IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine (CID 142575265) is 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine.
What is the SMILES notation for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine?
The canonical SMILES for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine is C=CC1=CCC(C2CCN(CCF)CC2)=N1.
What is the InChIKey of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine?
The InChIKey is HITFNDPPSWPVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-12-3-4-13(15-12)11-5-8-16(9-6-11)10-7-14/h2-3,11H,1,4-10H2.
What are the key properties of 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine?
4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine has a molecular weight of 222.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine is sourced from PubChem (CID 142575265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).