N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine

C11H19F3N2 — CID 62574962

IUPACN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-2-5-15-6-8-16-7-3-4-10(9-16)11(12,13)14/h2,10,15H,1,3-9H2
InChIKeyYHYXWVLNUJUKLT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.04
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine

N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine (PubChem CID 62574962) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
PubChem CID62574962
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-2-5-15-6-8-16-7-3-4-10(9-16)11(12,13)14/h2,10,15H,1,3-9H2
InChIKeyYHYXWVLNUJUKLT-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine (CID 62574962) is N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine is C=CCNCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
The InChIKey is YHYXWVLNUJUKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-5-15-6-8-16-7-3-4-10(9-16)11(12,13)14/h2,10,15H,1,3-9H2.
What are the key properties of N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine?
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).