N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine

C10H16FN3 — CID 176553009

IUPACN-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
SMILESC=N/C(F)=C(\N=C)N1CCC(C)CC1
InChIInChI=1S/C10H16FN3/c1-8-4-6-14(7-5-8)10(13-3)9(11)12-2/h8H,2-7H2,1H3/b10-9+
InChIKeyHJWIBCDABDEQGW-MDZDMXLPSA-N
MW197.26 g/mol
LogP2.22
Rot. Bonds3

About N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine

N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine (PubChem CID 176553009) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
PubChem CID176553009
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
SMILESC=N/C(F)=C(\N=C)N1CCC(C)CC1
InChIInChI=1S/C10H16FN3/c1-8-4-6-14(7-5-8)10(13-3)9(11)12-2/h8H,2-7H2,1H3/b10-9+
InChIKeyHJWIBCDABDEQGW-MDZDMXLPSA-N
XLogP2.22
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine
CID 156752689
N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
CID 176552841
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934
N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
CID 176552543
N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176552562
fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176553028

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine?
The IUPAC name of N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine (CID 176553009) is N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine is C=N/C(F)=C(\N=C)N1CCC(C)CC1.
What is the InChIKey of N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine?
The InChIKey is HJWIBCDABDEQGW-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H16FN3/c1-8-4-6-14(7-5-8)10(13-3)9(11)12-2/h8H,2-7H2,1H3/b10-9+.
What are the key properties of N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine?
N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine has a molecular weight of 197.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine is sourced from PubChem (CID 176553009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).