1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C14H21F3N2 — CID 141206326

IUPAC1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1(NCC2CCNCC2)C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2/c1-13(19-10-11-4-7-18-8-5-11)6-2-3-12(9-13)14(15,16)17/h2-3,6,11,18-19H,4-5,7-10H2,1H3
InChIKeyBKHIWFQYSLQGFR-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.78
Rot. Bonds3

About 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 141206326) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID141206326
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1(NCC2CCNCC2)C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2/c1-13(19-10-11-4-7-18-8-5-11)6-2-3-12(9-13)14(15,16)17/h2-3,6,11,18-19H,4-5,7-10H2,1H3
InChIKeyBKHIWFQYSLQGFR-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 141206326) is 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CC1(NCC2CCNCC2)C=CC=C(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is BKHIWFQYSLQGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-13(19-10-11-4-7-18-8-5-11)6-2-3-12(9-13)14(15,16)17/h2-3,6,11,18-19H,4-5,7-10H2,1H3.
What are the key properties of 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 274.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141206326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).