1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde

C9H16F3NO — CID 143211697

IUPAC1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde
SMILESCC1CCN(C)CC1.O=CC(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O/c1-7-3-5-8(2)6-4-7;3-2(4,5)1-6/h7H,3-6H2,1-2H3;1H
InChIKeyPKPPNJKXTDSDOR-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds

About 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde

1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde (PubChem CID 143211697) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde
PubChem CID143211697
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde
SMILESCC1CCN(C)CC1.O=CC(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O/c1-7-3-5-8(2)6-4-7;3-2(4,5)1-6/h7H,3-6H2,1-2H3;1H
InChIKeyPKPPNJKXTDSDOR-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
3-(4,4-Difluoropiperidin-1-yl)-2,2-dimethylpropanal
CID 89355852
1-(1-Methoxyethyl)-4-(trifluoromethyl)piperidine
CID 90935730
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
4-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226337
4-(Difluoromethoxymethyl)-1-(2-methylpropyl)piperidine
CID 137419273
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde (CID 143211697) is 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde is CC1CCN(C)CC1.O=CC(F)(F)F.
What is the InChIKey of 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde?
The InChIKey is PKPPNJKXTDSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2HF3O/c1-7-3-5-8(2)6-4-7;3-2(4,5)1-6/h7H,3-6H2,1-2H3;1H.
What are the key properties of 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde?
1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde has a molecular weight of 211.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 143211697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).