N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine

C15H25FN2 — CID 174276298

IUPACN-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(C(\C)=C/CF)/N1CCC(C(C)C)CC1
InChIInChI=1S/C15H25FN2/c1-12(2)14-6-9-18(10-7-14)15(11-17-4)13(3)5-8-16/h5,11-12,14H,4,6-10H2,1-3H3/b13-5-,15-11+
InChIKeyNCZAPDVHXNEOJA-BHRUMUSRSA-N
MW252.38 g/mol
LogP3.81
Rot. Bonds5

About N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine (PubChem CID 174276298) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
PubChem CID174276298
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(C(\C)=C/CF)/N1CCC(C(C)C)CC1
InChIInChI=1S/C15H25FN2/c1-12(2)14-6-9-18(10-7-14)15(11-17-4)13(3)5-8-16/h5,11-12,14H,4,6-10H2,1-3H3/b13-5-,15-11+
InChIKeyNCZAPDVHXNEOJA-BHRUMUSRSA-N
XLogP3.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine (CID 174276298) is N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine is C=N/C=C(C(\C)=C/CF)/N1CCC(C(C)C)CC1.
What is the InChIKey of N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
The InChIKey is NCZAPDVHXNEOJA-BHRUMUSRSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(2)14-6-9-18(10-7-14)15(11-17-4)13(3)5-8-16/h5,11-12,14H,4,6-10H2,1-3H3/b13-5-,15-11+.
What are the key properties of N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine has a molecular weight of 252.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-5-fluoro-3-methyl-2-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 174276298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).