N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride

C11H20ClF3N2 — CID 119930886

IUPACN-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride
SMILESC=CCN(CC1CCNCC1)CC(F)(F)F.Cl
InChIInChI=1S/C11H19F3N2.ClH/c1-2-7-16(9-11(12,13)14)8-10-3-5-15-6-4-10;/h2,10,15H,1,3-9H2;1H
InChIKeyYHGPGKMYALPEMZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.46
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride

N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride (PubChem CID 119930886) has the molecular formula C11H20ClF3N2 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride
PubChem CID119930886
Molecular FormulaC11H20ClF3N2
Molecular Weight272.74 g/mol
Exact Mass272.13
IUPAC NameN-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride
SMILESC=CCN(CC1CCNCC1)CC(F)(F)F.Cl
InChIInChI=1S/C11H19F3N2.ClH/c1-2-7-16(9-11(12,13)14)8-10-3-5-15-6-4-10;/h2,10,15H,1,3-9H2;1H
InChIKeyYHGPGKMYALPEMZ-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride (CID 119930886) is N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride is C=CCN(CC1CCNCC1)CC(F)(F)F.Cl.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is YHGPGKMYALPEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2.ClH/c1-2-7-16(9-11(12,13)14)8-10-3-5-15-6-4-10;/h2,10,15H,1,3-9H2;1H.
What are the key properties of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride?
N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 119930886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).