4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine

C19H26FN3 — CID 144647186

IUPAC4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine
SMILESC=C(C/C=C(\C)F)/C(C)=C/C(=C)c1cnn(C2CCNCC2)c1
InChIInChI=1S/C19H26FN3/c1-14(5-6-17(4)20)15(2)11-16(3)18-12-22-23(13-18)19-7-9-21-10-8-19/h6,11-13,19,21H,1,3,5,7-10H2,2,4H3/b15-11+,17-6+
InChIKeySGIQDFJBUNBRNF-NNRYYXNUSA-N
MW315.44 g/mol
LogP4.59
Rot. Bonds6

About 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine

4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine (PubChem CID 144647186) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine
PubChem CID144647186
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine
SMILESC=C(C/C=C(\C)F)/C(C)=C/C(=C)c1cnn(C2CCNCC2)c1
InChIInChI=1S/C19H26FN3/c1-14(5-6-17(4)20)15(2)11-16(3)18-12-22-23(13-18)19-7-9-21-10-8-19/h6,11-13,19,21H,1,3,5,7-10H2,2,4H3/b15-11+,17-6+
InChIKeySGIQDFJBUNBRNF-NNRYYXNUSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine with MolForge

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 86779459
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CID 126796859
7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine
CID 67464051
3-Fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
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4-(4-Ethylpyrazol-1-yl)-3-fluoropiperidine
CID 90455489
(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-propan-2-ylpyrazole
CID 135175779
3-fluoro-5-(1-methylpyrazol-4-yl)-1H-pyridine-2-thione
CID 161620366
3-Fluoro-4-(4-propan-2-ylpyrazol-1-yl)piperidine
CID 162773707
7-(Difluoromethyl)-6-(1-methylpyrazol-4-yl)-1,2,3,4,4a,8a-hexahydroquinoline
CID 163536240
9-(1-Methylpyrazol-4-yl)-6-piperidin-3-yl-5-(trifluoromethyl)-2,3,7-triazabicyclo[6.1.1]deca-1(9),2,5,7-tetraen-4-amine
CID 163756071
2-(4-Fluoropiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 172191190

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine (CID 144647186) is 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine is C=C(C/C=C(\C)F)/C(C)=C/C(=C)c1cnn(C2CCNCC2)c1.
What is the InChIKey of 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine?
The InChIKey is SGIQDFJBUNBRNF-NNRYYXNUSA-N. The full InChI is InChI=1S/C19H26FN3/c1-14(5-6-17(4)20)15(2)11-16(3)18-12-22-23(13-18)19-7-9-21-10-8-19/h6,11-13,19,21H,1,3,5,7-10H2,2,4H3/b15-11+,17-6+.
What are the key properties of 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine?
4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine has a molecular weight of 315.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine is sourced from PubChem (CID 144647186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).