1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde

C10H18FNO — CID 153386940

IUPAC1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde
SMILESCC1(C=O)CCN(CCCF)CC1
InChIInChI=1S/C10H18FNO/c1-10(9-13)3-7-12(8-4-10)6-2-5-11/h9H,2-8H2,1H3
InChIKeyJUUXBKJNPOAURD-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.65
Rot. Bonds4

About 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde

1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde (PubChem CID 153386940) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde
PubChem CID153386940
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde
SMILESCC1(C=O)CCN(CCCF)CC1
InChIInChI=1S/C10H18FNO/c1-10(9-13)3-7-12(8-4-10)6-2-5-11/h9H,2-8H2,1H3
InChIKeyJUUXBKJNPOAURD-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-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-(Pentan-3-yl)piperidine-4-carbaldehyde
CID 80098853
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
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-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
1-(3,3-Dimethylbutanoyl)-4-fluoropiperidine-4-carbaldehyde
CID 138711510

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde?
The IUPAC name of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde (CID 153386940) is 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde is CC1(C=O)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde?
The InChIKey is JUUXBKJNPOAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(9-13)3-7-12(8-4-10)6-2-5-11/h9H,2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde?
1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde has a molecular weight of 187.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 153386940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).