1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde

C9H16FNO — CID 166702196

IUPAC1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde
SMILESC[C@@H](F)CN1CCC(C=O)CC1
InChIInChI=1S/C9H16FNO/c1-8(10)6-11-4-2-9(7-12)3-5-11/h7-9H,2-6H2,1H3/t8-/m1/s1
InChIKeySMSOXSGLEFNLPH-MRVPVSSYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde

1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde (PubChem CID 166702196) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde
PubChem CID166702196
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde
SMILESC[C@@H](F)CN1CCC(C=O)CC1
InChIInChI=1S/C9H16FNO/c1-8(10)6-11-4-2-9(7-12)3-5-11/h7-9H,2-6H2,1H3/t8-/m1/s1
InChIKeySMSOXSGLEFNLPH-MRVPVSSYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde (CID 166702196) is 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde is C[C@@H](F)CN1CCC(C=O)CC1.
What is the InChIKey of 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde?
The InChIKey is SMSOXSGLEFNLPH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(10)6-11-4-2-9(7-12)3-5-11/h7-9H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde?
1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-fluoropropyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 166702196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).