1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine

C13H15F3N2 — CID 62881665

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)11-6-4-10(5-7-11)9-18-8-2-1-3-12(18)17/h4-7,17H,1-3,8-9H2/b17-12+
InChIKeyVPCUHPNNTHZCKR-SFQUDFHCSA-N
MW256.27 g/mol
LogP3.67
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine

1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine (PubChem CID 62881665) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
PubChem CID62881665
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)11-6-4-10(5-7-11)9-18-8-2-1-3-12(18)17/h4-7,17H,1-3,8-9H2/b17-12+
InChIKeyVPCUHPNNTHZCKR-SFQUDFHCSA-N
XLogP3.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
CID 62995548
3-[(2-iminopyrrolidin-1-yl)methyl]benzonitrile
CID 62313145
1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
CID 106007900
1-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166161656
1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine
CID 131209228
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64883374
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003
1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine
CID 130778886
3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 63602482
1,5-bis[[3-(trifluoromethyl)phenyl]methyl]-1,5-diazacycloundecan-6-one
CID 102246471
1-ethyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111420167

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine (CID 62881665) is 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine is [H]/N=C1\CCCCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine?
The InChIKey is VPCUHPNNTHZCKR-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-13(15,16)11-6-4-10(5-7-11)9-18-8-2-1-3-12(18)17/h4-7,17H,1-3,8-9H2/b17-12+.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine?
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine has a molecular weight of 256.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine is sourced from PubChem (CID 62881665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).