1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine

C15H22FN3 — CID 89245170

IUPAC1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine
SMILESCC1N=CC=C/C1=C(F)/C=C\CN1CCC(N)CC1
InChIInChI=1S/C15H22FN3/c1-12-14(4-2-8-18-12)15(16)5-3-9-19-10-6-13(17)7-11-19/h2-5,8,12-13H,6-7,9-11,17H2,1H3/b5-3-,15-14+
InChIKeyXEGXPFPZXKGGLY-JODZDXIWSA-N
MW263.36 g/mol
LogP2.22
Rot. Bonds3

About 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine

1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine (PubChem CID 89245170) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine
PubChem CID89245170
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine
SMILESCC1N=CC=C/C1=C(F)/C=C\CN1CCC(N)CC1
InChIInChI=1S/C15H22FN3/c1-12-14(4-2-8-18-12)15(16)5-3-9-19-10-6-13(17)7-11-19/h2-5,8,12-13H,6-7,9-11,17H2,1H3/b5-3-,15-14+
InChIKeyXEGXPFPZXKGGLY-JODZDXIWSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine?
The IUPAC name of 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine (CID 89245170) is 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine.
What is the SMILES notation for 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine?
The canonical SMILES for 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine is CC1N=CC=C/C1=C(F)/C=C\CN1CCC(N)CC1.
What is the InChIKey of 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine?
The InChIKey is XEGXPFPZXKGGLY-JODZDXIWSA-N. The full InChI is InChI=1S/C15H22FN3/c1-12-14(4-2-8-18-12)15(16)5-3-9-19-10-6-13(17)7-11-19/h2-5,8,12-13H,6-7,9-11,17H2,1H3/b5-3-,15-14+.
What are the key properties of 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine?
1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine has a molecular weight of 263.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,4E)-4-fluoro-4-(2-methyl-2H-pyridin-3-ylidene)but-2-enyl]piperidin-4-amine is sourced from PubChem (CID 89245170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).