N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

C13H19F3N2 — CID 162597458

IUPACN-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESFC(F)(F)C1=CC(NCC2CCCCN2)=CCC1
InChIInChI=1S/C13H19F3N2/c14-13(15,16)10-4-3-6-11(8-10)18-9-12-5-1-2-7-17-12/h6,8,12,17-18H,1-5,7,9H2
InChIKeyGTVCARYVTRAMHI-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.88
Rot. Bonds3

About N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine

N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 162597458) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
PubChem CID162597458
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
SMILESFC(F)(F)C1=CC(NCC2CCCCN2)=CCC1
InChIInChI=1S/C13H19F3N2/c14-13(15,16)10-4-3-6-11(8-10)18-9-12-5-1-2-7-17-12/h6,8,12,17-18H,1-5,7,9H2
InChIKeyGTVCARYVTRAMHI-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine (CID 162597458) is N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is FC(F)(F)C1=CC(NCC2CCCCN2)=CCC1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is GTVCARYVTRAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c14-13(15,16)10-4-3-6-11(8-10)18-9-12-5-1-2-7-17-12/h6,8,12,17-18H,1-5,7,9H2.
What are the key properties of N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine?
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 260.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 162597458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).