4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine

C10H13F3N2 — CID 161322610

IUPAC4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
SMILESFC(F)(F)C1=NCC(C2CCNCC2)=C1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-5-8(6-15-9)7-1-3-14-4-2-7/h5,7,14H,1-4,6H2
InChIKeyVKIOHZWXRKJWKN-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.93
Rot. Bonds1

About 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine

4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine (PubChem CID 161322610) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
PubChem CID161322610
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
SMILESFC(F)(F)C1=NCC(C2CCNCC2)=C1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-5-8(6-15-9)7-1-3-14-4-2-7/h5,7,14H,1-4,6H2
InChIKeyVKIOHZWXRKJWKN-UHFFFAOYSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
CID 91008841
9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 141242559
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride
CID 161322609
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
4-(5-methyl-2H-pyrrol-3-yl)piperidine;hydrochloride
CID 160120254

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine?
The IUPAC name of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine (CID 161322610) is 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine?
The canonical SMILES for 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine is FC(F)(F)C1=NCC(C2CCNCC2)=C1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine?
The InChIKey is VKIOHZWXRKJWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)9-5-8(6-15-9)7-1-3-14-4-2-7/h5,7,14H,1-4,6H2.
What are the key properties of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine?
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine has a molecular weight of 218.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine is sourced from PubChem (CID 161322610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).