N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine

C17H21F3N2 — CID 163742238

IUPACN-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine
SMILESC=C(C)c1cc(C(F)(F)F)ccc1/C(=N/C)C1CCNCC1
InChIInChI=1S/C17H21F3N2/c1-11(2)15-10-13(17(18,19)20)4-5-14(15)16(21-3)12-6-8-22-9-7-12/h4-5,10,12,22H,1,6-9H2,2-3H3/b21-16+
InChIKeyLITONAOZVCVLMZ-LTGZKZEYSA-N
MW310.36 g/mol
LogP4.16
Rot. Bonds3

About N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine

N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine (PubChem CID 163742238) has the molecular formula C17H21F3N2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine
PubChem CID163742238
Molecular FormulaC17H21F3N2
Molecular Weight310.36 g/mol
Exact Mass310.17
IUPAC NameN-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine
SMILESC=C(C)c1cc(C(F)(F)F)ccc1/C(=N/C)C1CCNCC1
InChIInChI=1S/C17H21F3N2/c1-11(2)15-10-13(17(18,19)20)4-5-14(15)16(21-3)12-6-8-22-9-7-12/h4-5,10,12,22H,1,6-9H2,2-3H3/b21-16+
InChIKeyLITONAOZVCVLMZ-LTGZKZEYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.16
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

N-[4-(1-phenyl-1-piperidin-4-ylethyl)-2-prop-1-en-2-ylphenyl]-4-[4-(trifluoromethyl)phenyl]butan-2-imine
CID 146259807
4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 143233960
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanimine
CID 130239193
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
CID 82550498
(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
CID 82049671
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
(5-tert-butyl-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916850
[2-methyl-5-(trifluoromethyl)phenyl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 91834156
4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
CID 174852031
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine (CID 163742238) is N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine is C=C(C)c1cc(C(F)(F)F)ccc1/C(=N/C)C1CCNCC1.
What is the InChIKey of N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is LITONAOZVCVLMZ-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H21F3N2/c1-11(2)15-10-13(17(18,19)20)4-5-14(15)16(21-3)12-6-8-22-9-7-12/h4-5,10,12,22H,1,6-9H2,2-3H3/b21-16+.
What are the key properties of N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine?
N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 310.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yl-1-[2-prop-1-en-2-yl-4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 163742238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).