N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine

C14H21F3N2 — CID 144962808

IUPACN-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C(\C=C)C(NC1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-6-11(5-2)13(14(15,16)17)18-12-7-9-19(3)10-8-12/h4-6,12-13,18H,1-2,7-10H2,3H3/b11-6+
InChIKeyMCONOAGNOSKGOL-IZZDOVSWSA-N
MW274.33 g/mol
LogP2.90
Rot. Bonds5

About N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine

N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine (PubChem CID 144962808) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
PubChem CID144962808
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C(\C=C)C(NC1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-6-11(5-2)13(14(15,16)17)18-12-7-9-19(3)10-8-12/h4-6,12-13,18H,1-2,7-10H2,3H3/b11-6+
InChIKeyMCONOAGNOSKGOL-IZZDOVSWSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine (CID 144962808) is N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine is C=C/C=C(\C=C)C(NC1CCN(C)CC1)C(F)(F)F.
What is the InChIKey of N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is MCONOAGNOSKGOL-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-6-11(5-2)13(14(15,16)17)18-12-7-9-19(3)10-8-12/h4-6,12-13,18H,1-2,7-10H2,3H3/b11-6+.
What are the key properties of N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine?
N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 144962808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).