N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine

C10H16FN3 — CID 156752689

IUPACN-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine
SMILESC=N/C=C(\N=C)N1CC(C)CC(F)C1
InChIInChI=1S/C10H16FN3/c1-8-4-9(11)7-14(6-8)10(13-3)5-12-2/h5,8-9H,2-4,6-7H2,1H3/b10-5+
InChIKeyJNMBDSVCKKANQB-BJMVGYQFSA-N
MW197.26 g/mol
LogP1.87
Rot. Bonds3

About N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine

N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine (PubChem CID 156752689) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine
PubChem CID156752689
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC NameN-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine
SMILESC=N/C=C(\N=C)N1CC(C)CC(F)C1
InChIInChI=1S/C10H16FN3/c1-8-4-9(11)7-14(6-8)10(13-3)5-12-2/h5,8-9H,2-4,6-7H2,1H3/b10-5+
InChIKeyJNMBDSVCKKANQB-BJMVGYQFSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
CID 176552841
N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
CID 176553009
N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
CID 142925929
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine (CID 156752689) is N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine is C=N/C=C(\N=C)N1CC(C)CC(F)C1.
What is the InChIKey of N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine?
The InChIKey is JNMBDSVCKKANQB-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H16FN3/c1-8-4-9(11)7-14(6-8)10(13-3)5-12-2/h5,8-9H,2-4,6-7H2,1H3/b10-5+.
What are the key properties of N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine?
N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine has a molecular weight of 197.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(3-fluoro-5-methylpiperidin-1-yl)-2-(methylideneamino)ethenyl]methanimine is sourced from PubChem (CID 156752689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).