1-(3-fluoropropyl)piperidine-3-carbaldehyde

C9H16FNO — CID 81114403

IUPAC1-(3-fluoropropyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCCF)C1
InChIInChI=1S/C9H16FNO/c10-4-2-6-11-5-1-3-9(7-11)8-12/h8-9H,1-7H2
InChIKeyNYOWBDDILKXURJ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds4

About 1-(3-fluoropropyl)piperidine-3-carbaldehyde

1-(3-fluoropropyl)piperidine-3-carbaldehyde (PubChem CID 81114403) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluoropropyl)piperidine-3-carbaldehyde
PubChem CID81114403
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(3-fluoropropyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CCCF)C1
InChIInChI=1S/C9H16FNO/c10-4-2-6-11-5-1-3-9(7-11)8-12/h8-9H,1-7H2
InChIKeyNYOWBDDILKXURJ-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
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-decylpiperidine-3-carbaldehyde
CID 55195177
1-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
2-(3-formylpiperidin-1-yl)acetonitrile
CID 62654928
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
1-[2-(1-adamantyl)ethyl]piperidine-3-carbaldehyde
CID 63510161
N-carbamoyl-3-(3-formylpiperidin-1-yl)propanamide
CID 62655138
1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
CID 130601547
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
piperidine-1,3-dicarbaldehyde
CID 143116896

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-fluoropropyl)piperidine-3-carbaldehyde (CID 81114403) is 1-(3-fluoropropyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-fluoropropyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-fluoropropyl)piperidine-3-carbaldehyde is O=CC1CCCN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)piperidine-3-carbaldehyde?
The InChIKey is NYOWBDDILKXURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-4-2-6-11-5-1-3-9(7-11)8-12/h8-9H,1-7H2.
What are the key properties of 1-(3-fluoropropyl)piperidine-3-carbaldehyde?
1-(3-fluoropropyl)piperidine-3-carbaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 81114403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).