1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine

C13H21FN2 — CID 144851325

IUPAC1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine
SMILESC=C(C)/C(=N\C=C(C)C)C1(F)CCCNC1
InChIInChI=1S/C13H21FN2/c1-10(2)8-16-12(11(3)4)13(14)6-5-7-15-9-13/h8,15H,3,5-7,9H2,1-2,4H3/b16-12+
InChIKeyULWNRSSZLLBXQL-FOWTUZBSSA-N
MW224.32 g/mol
LogP3.02
Rot. Bonds3

About 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine

1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine (PubChem CID 144851325) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine
PubChem CID144851325
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine
SMILESC=C(C)/C(=N\C=C(C)C)C1(F)CCCNC1
InChIInChI=1S/C13H21FN2/c1-10(2)8-16-12(11(3)4)13(14)6-5-7-15-9-13/h8,15H,3,5-7,9H2,1-2,4H3/b16-12+
InChIKeyULWNRSSZLLBXQL-FOWTUZBSSA-N
XLogP3.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride
CID 139358115
(4S)-2-[(E)-2-fluoroprop-1-enyl]imino-3-methylidene-8-azaspiro[4.5]decan-4-amine
CID 170101813
2-(4,4-Difluoropiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
CID 173980595
2-Methyl-5-piperidin-4-yl-3,4-dihydropyridine
CID 91019224
4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
CID 138631842
4-(4-methyl-3H-pyrrol-2-yl)piperidine
CID 138631950
(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
CID 139357837
(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358974
N-(2-methylprop-1-enyl)-1-piperidin-4-ylprop-2-en-1-imine
CID 143003964
1-N-methyl-1-piperidin-4-yl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 142137753

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
The IUPAC name of 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine (CID 144851325) is 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine.
What is the SMILES notation for 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
The canonical SMILES for 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine is C=C(C)/C(=N\C=C(C)C)C1(F)CCCNC1.
What is the InChIKey of 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
The InChIKey is ULWNRSSZLLBXQL-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)8-16-12(11(3)4)13(14)6-5-7-15-9-13/h8,15H,3,5-7,9H2,1-2,4H3/b16-12+.
What are the key properties of 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine has a molecular weight of 224.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine is sourced from PubChem (CID 144851325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).