(E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride

C9H15ClFN3 — CID 137252703

IUPAC(E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(\NC)N1CCC(F)CC1
InChIInChI=1S/C9H15ClFN3/c1-13-9(6-8(10)12)14-4-2-7(11)3-5-14/h6-7,12-13H,2-5H2,1H3/b9-6+,12-8-
InChIKeyHCJZTLQKUWITCJ-ICAUCVKBSA-N
MW219.69 g/mol
LogP1.70
Rot. Bonds3

About (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride

(E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride (PubChem CID 137252703) has the molecular formula C9H15ClFN3 and a molecular weight of 219.69 g/mol. Its IUPAC name is (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride
PubChem CID137252703
Molecular FormulaC9H15ClFN3
Molecular Weight219.69 g/mol
Exact Mass219.09
IUPAC Name(E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(\NC)N1CCC(F)CC1
InChIInChI=1S/C9H15ClFN3/c1-13-9(6-8(10)12)14-4-2-7(11)3-5-14/h6-7,12-13H,2-5H2,1H3/b9-6+,12-8-
InChIKeyHCJZTLQKUWITCJ-ICAUCVKBSA-N
XLogP1.70
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
(E)-3-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-3-imino-1-methylsulfanylprop-1-en-1-amine
CID 153366867
(E)-3-chloro-3-(ethylamino)prop-2-enimidoyl chloride
CID 167092173
2-chloro-1-(4-fluoropiperidin-1-yl)propan-1-one
CID 121200830
3-fluoropyrrolidine-1-carbonyl chloride
CID 175546868
(E)-3-methyl-4-oxobut-2-enimidoyl chloride
CID 138622786
1-[(3R)-3-methylpyrrolidin-1-yl]ethanimine
CID 59072020
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
(E)-3-(azetidin-1-yl)-2-fluoro-3-imino-N-methylprop-1-en-1-amine
CID 156818872
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
(E)-2-aminobut-2-enediimidoyl dichloride
CID 137295960
(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine
CID 165140410

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride?
The IUPAC name of (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride (CID 137252703) is (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride.
What is the SMILES notation for (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride?
The canonical SMILES for (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(\NC)N1CCC(F)CC1.
What is the InChIKey of (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride?
The InChIKey is HCJZTLQKUWITCJ-ICAUCVKBSA-N. The full InChI is InChI=1S/C9H15ClFN3/c1-13-9(6-8(10)12)14-4-2-7(11)3-5-14/h6-7,12-13H,2-5H2,1H3/b9-6+,12-8-.
What are the key properties of (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride?
(E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride has a molecular weight of 219.69 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluoropiperidin-1-yl)-3-(methylamino)prop-2-enimidoyl chloride is sourced from PubChem (CID 137252703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).