(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine

C10H17FN2 — CID 177021763

IUPAC(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
SMILESCC/C(F)=C1C(=N\C)\CCNC\1C
InChIInChI=1S/C10H17FN2/c1-4-8(11)10-7(2)13-6-5-9(10)12-3/h7,13H,4-6H2,1-3H3/b10-8+,12-9+
InChIKeyCWJKPVVVMYPLRV-AXDLQRQNSA-N
MW184.26 g/mol
LogP2.07
Rot. Bonds1

About (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine

(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine (PubChem CID 177021763) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine.

Molecular Properties

Compound Name(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
PubChem CID177021763
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
SMILESCC/C(F)=C1C(=N\C)\CCNC\1C
InChIInChI=1S/C10H17FN2/c1-4-8(11)10-7(2)13-6-5-9(10)12-3/h7,13H,4-6H2,1-3H3/b10-8+,12-9+
InChIKeyCWJKPVVVMYPLRV-AXDLQRQNSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.07
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

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
N-(1-piperidin-4-ylidenepropyl)hexan-2-imine
CID 91508186
1-(4-Ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine
CID 123934981
Ethane;3-piperidin-4-ylidenebutan-2-imine
CID 142142788
(3Z)-3-ethylidene-N-methylpiperidin-4-imine
CID 143890086
ethane;(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 145551937
1-(4-Methyliminopiperidin-3-ylidene)ethanamine
CID 149065719
4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine
CID 163848992
3-ethyl-5-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[4,3-b]azepine
CID 166830865
(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine
CID 170078168
(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
CID 170079294

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine?
The IUPAC name of (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine (CID 177021763) is (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine.
What is the SMILES notation for (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine?
The canonical SMILES for (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine is CC/C(F)=C1C(=N\C)\CCNC\1C.
What is the InChIKey of (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine?
The InChIKey is CWJKPVVVMYPLRV-AXDLQRQNSA-N. The full InChI is InChI=1S/C10H17FN2/c1-4-8(11)10-7(2)13-6-5-9(10)12-3/h7,13H,4-6H2,1-3H3/b10-8+,12-9+.
What are the key properties of (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine?
(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine has a molecular weight of 184.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine is sourced from PubChem (CID 177021763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).