4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde

C10H18FNO — CID 84770495

IUPAC4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(C(C)(C)F)CC1
InChIInChI=1S/C10H18FNO/c1-9(2,11)10(8-13)4-6-12(3)7-5-10/h8H,4-7H2,1-3H3
InChIKeyLPTDJKMOPOOPGS-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.65
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde

4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde (PubChem CID 84770495) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde
PubChem CID84770495
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(C(C)(C)F)CC1
InChIInChI=1S/C10H18FNO/c1-9(2,11)10(8-13)4-6-12(3)7-5-10/h8H,4-7H2,1-3H3
InChIKeyLPTDJKMOPOOPGS-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.65
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-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2-Methylpropyl)piperidine-4-carbaldehyde
CID 62655908
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
1-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
1-(3,3-Dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde
CID 138711510
1-Fluoro-4-methylpiperidine-4-carbaldehyde
CID 141361502
4-Fluoro-1-(2-methylpropyl)piperidine-4-carbaldehyde
CID 142584248
2-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanal
CID 146588104
1-(3-Fluoropropyl)-4-methylpiperidine-4-carbaldehyde
CID 153386940
(4S)-1-methyl-3-(trifluoromethyl)piperidine-4-carbaldehyde
CID 163219698
1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde
CID 166702196
1-(2-Fluoro-2-methylpropyl)piperidine-4-carbaldehyde
CID 166702246

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde?
The IUPAC name of 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde (CID 84770495) is 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde is CN1CCC(C=O)(C(C)(C)F)CC1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde?
The InChIKey is LPTDJKMOPOOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(2,11)10(8-13)4-6-12(3)7-5-10/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde?
4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde has a molecular weight of 187.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 84770495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).