1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine

C12H19F3N2 — CID 123932115

IUPAC1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
SMILES[H]/N=C(/C=C(C)C(C)C1CCCCN1)C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-8(7-11(16)12(13,14)15)9(2)10-5-3-4-6-17-10/h7,9-10,16-17H,3-6H2,1-2H3/b8-7?,16-11-
InChIKeyLAABEXYACGAXDE-XQUSMODOSA-N
MW248.29 g/mol
LogP3.29
Rot. Bonds3

About 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine

1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine (PubChem CID 123932115) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
PubChem CID123932115
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
SMILES[H]/N=C(/C=C(C)C(C)C1CCCCN1)C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-8(7-11(16)12(13,14)15)9(2)10-5-3-4-6-17-10/h7,9-10,16-17H,3-6H2,1-2H3/b8-7?,16-11-
InChIKeyLAABEXYACGAXDE-XQUSMODOSA-N
XLogP3.29
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(E)-7-methyl-N-piperidin-4-yl-6-(trifluoromethyl)oct-5-en-4-imine
CID 91008841
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
CID 142867709
(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169114344
4-(2-piperidin-4-ylethyl)-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 169691681
2-(4,4-Difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169751451
(NZ)-N-[(4,6-difluorocyclohexen-1-yl)-piperidin-4-ylmethylidene]hydroxylamine
CID 172919945
3-(Azetidin-3-ylidenemethyl)-2-(1,1-difluoroethyl)-5-methylpiperidine
CID 176942219
2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
CID 176943362
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 105932479
2-[3-(3,3-Difluorocyclohexyl)-2-methylprop-2-enyl]piperidine
CID 114225486

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine (CID 123932115) is 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine is [H]/N=C(/C=C(C)C(C)C1CCCCN1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine?
The InChIKey is LAABEXYACGAXDE-XQUSMODOSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-8(7-11(16)12(13,14)15)9(2)10-5-3-4-6-17-10/h7,9-10,16-17H,3-6H2,1-2H3/b8-7?,16-11-.
What are the key properties of 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine?
1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine has a molecular weight of 248.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine is sourced from PubChem (CID 123932115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).