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

C10H14ClF3N2 — CID 161322609

IUPAC4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)C1=NCC(C2CCNCC2)=C1
InChIInChI=1S/C10H13F3N2.ClH/c11-10(12,13)9-5-8(6-15-9)7-1-3-14-4-2-7;/h5,7,14H,1-4,6H2;1H
InChIKeyCGTCINJHIMHMDJ-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.35
Rot. Bonds1

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

4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride (PubChem CID 161322609) has the molecular formula C10H14ClF3N2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride
PubChem CID161322609
Molecular FormulaC10H14ClF3N2
Molecular Weight254.68 g/mol
Exact Mass254.08
IUPAC Name4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)C1=NCC(C2CCNCC2)=C1
InChIInChI=1S/C10H13F3N2.ClH/c11-10(12,13)9-5-8(6-15-9)7-1-3-14-4-2-7;/h5,7,14H,1-4,6H2;1H
InChIKeyCGTCINJHIMHMDJ-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.35
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
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
CID 161322610
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
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;hydrochloride?
The IUPAC name of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride (CID 161322609) is 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride is Cl.FC(F)(F)C1=NCC(C2CCNCC2)=C1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride?
The InChIKey is CGTCINJHIMHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2.ClH/c11-10(12,13)9-5-8(6-15-9)7-1-3-14-4-2-7;/h5,7,14H,1-4,6H2;1H.
What are the key properties of 4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride?
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine;hydrochloride has a molecular weight of 254.68 g/mol, XLogP of 2.35, 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;hydrochloride is sourced from PubChem (CID 161322609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).