(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde

C9H14FNO2 — CID 90074972

IUPAC(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde
SMILESC[C@H](F)[C@H]1CNC[C@H](C=O)[C@H]1C=O
InChIInChI=1S/C9H14FNO2/c1-6(10)8-3-11-2-7(4-12)9(8)5-13/h4-9,11H,2-3H2,1H3/t6-,7+,8+,9+/m0/s1
InChIKeyQAHJRSQMLFDNOD-JQCXWYLXSA-N
MW187.21 g/mol
LogP0.19
Rot. Bonds3

About (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde

(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde (PubChem CID 90074972) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde.

Molecular Properties

Compound Name(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde
PubChem CID90074972
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde
SMILESC[C@H](F)[C@H]1CNC[C@H](C=O)[C@H]1C=O
InChIInChI=1S/C9H14FNO2/c1-6(10)8-3-11-2-7(4-12)9(8)5-13/h4-9,11H,2-3H2,1H3/t6-,7+,8+,9+/m0/s1
InChIKeyQAHJRSQMLFDNOD-JQCXWYLXSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-2-piperidin-3-ylacetaldehyde
CID 105428768
2-Fluoro-3-piperidin-3-ylpropanal
CID 105431224
2-Fluoro-3-piperidin-4-ylpropanal
CID 105431225
(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-dicarbaldehyde
CID 154298054
2-(4-Oxopiperidin-3-yl)acetaldehyde
CID 11768669
2-Piperidin-3-ylpropanal
CID 53859875
2-Piperidin-4-ylpropanal
CID 87447057
(4S)-4-methylpiperidine-3-carbaldehyde
CID 88267171
(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde;hydrochloride
CID 90074971
2-Oxo-2-piperidin-3-ylacetaldehyde
CID 115011398
4-Methylpiperidine-3-carbaldehyde
CID 135141576
Ethane;4-ethylpiperidine-3-carbaldehyde
CID 145550011

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde?
The IUPAC name of (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde (CID 90074972) is (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde.
What is the SMILES notation for (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde?
The canonical SMILES for (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde is C[C@H](F)[C@H]1CNC[C@H](C=O)[C@H]1C=O.
What is the InChIKey of (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde?
The InChIKey is QAHJRSQMLFDNOD-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-6(10)8-3-11-2-7(4-12)9(8)5-13/h4-9,11H,2-3H2,1H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde?
(3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde has a molecular weight of 187.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-[(1S)-1-fluoroethyl]piperidine-3,4-dicarbaldehyde is sourced from PubChem (CID 90074972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).