4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde

C8H14FNO — CID 84764131

IUPAC4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(CF)CC1
InChIInChI=1S/C8H14FNO/c1-10-4-2-8(6-9,7-11)3-5-10/h7H,2-6H2,1H3
InChIKeyPHFCBGIWEKVDAB-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds2

About 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde

4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde (PubChem CID 84764131) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde
PubChem CID84764131
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(CF)CC1
InChIInChI=1S/C8H14FNO/c1-10-4-2-8(6-9,7-11)3-5-10/h7H,2-6H2,1H3
InChIKeyPHFCBGIWEKVDAB-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
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-Methylpiperidine-4-carbaldehyde
CID 12535228
1-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
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
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
1-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde?
The IUPAC name of 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde (CID 84764131) is 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde is CN1CCC(C=O)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde?
The InChIKey is PHFCBGIWEKVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-4-2-8(6-9,7-11)3-5-10/h7H,2-6H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde?
4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde has a molecular weight of 159.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 84764131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).