4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine

C14H19F3N2 — CID 166552486

IUPAC4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine
SMILES[H]/N=C1\C(=C)CC(C)C=C1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2/c1-9-7-10(2)13(18)12(8-9)19-5-3-11(4-6-19)14(15,16)17/h8-9,11,18H,2-7H2,1H3/b18-13+
InChIKeyMPKIHIDPFDHDAW-QGOAFFKASA-N
MW272.31 g/mol
LogP3.76
Rot. Bonds1

About 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine

4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine (PubChem CID 166552486) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine
PubChem CID166552486
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine
SMILES[H]/N=C1\C(=C)CC(C)C=C1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2/c1-9-7-10(2)13(18)12(8-9)19-5-3-11(4-6-19)14(15,16)17/h8-9,11,18H,2-7H2,1H3/b18-13+
InChIKeyMPKIHIDPFDHDAW-QGOAFFKASA-N
XLogP3.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.76
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

6-[(4,4-Difluoropiperidin-1-yl)methyl]-2-propan-2-yl-3,4-dihydropyridine
CID 126709115
(4E)-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]hepta-1,4,6-trien-3-imine
CID 166552631
(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
CID 143787887
5,5-Dimethyl-3-piperidin-1-yl-cyclohex-2-enylideneamine
CID 3416223

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine?
The IUPAC name of 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine (CID 166552486) is 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine.
What is the SMILES notation for 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine?
The canonical SMILES for 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine is [H]/N=C1\C(=C)CC(C)C=C1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine?
The InChIKey is MPKIHIDPFDHDAW-QGOAFFKASA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9-7-10(2)13(18)12(8-9)19-5-3-11(4-6-19)14(15,16)17/h8-9,11,18H,2-7H2,1H3/b18-13+.
What are the key properties of 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine?
4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine has a molecular weight of 272.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine is sourced from PubChem (CID 166552486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).