4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine

C14H23F3N2 — CID 174047146

IUPAC4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
SMILESC=C(CC)C1CCNCC1N/C(=C\CC)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-4-6-13(14(15,16)17)19-12-9-18-8-7-11(12)10(3)5-2/h6,11-12,18-19H,3-5,7-9H2,1-2H3/b13-6-
InChIKeyJPBCAKCVKUUHRN-MLPAPPSSSA-N
MW276.35 g/mol
LogP3.38
Rot. Bonds5

About 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine

4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine (PubChem CID 174047146) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
PubChem CID174047146
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
SMILESC=C(CC)C1CCNCC1N/C(=C\CC)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-4-6-13(14(15,16)17)19-12-9-18-8-7-11(12)10(3)5-2/h6,11-12,18-19H,3-5,7-9H2,1-2H3/b13-6-
InChIKeyJPBCAKCVKUUHRN-MLPAPPSSSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
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 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
The IUPAC name of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine (CID 174047146) is 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine.
What is the SMILES notation for 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
The canonical SMILES for 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine is C=C(CC)C1CCNCC1N/C(=C\CC)C(F)(F)F.
What is the InChIKey of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
The InChIKey is JPBCAKCVKUUHRN-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-4-6-13(14(15,16)17)19-12-9-18-8-7-11(12)10(3)5-2/h6,11-12,18-19H,3-5,7-9H2,1-2H3/b13-6-.
What are the key properties of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine has a molecular weight of 276.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine is sourced from PubChem (CID 174047146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).