4-chloropiperidine-1-carbaldehyde

C6H10ClNO — CID 151569678

IUPAC4-chloropiperidine-1-carbaldehyde
SMILESO=CN1CCC(Cl)CC1
InChIInChI=1S/C6H10ClNO/c7-6-1-3-8(5-9)4-2-6/h5-6H,1-4H2
InChIKeyQEELAONDGVKIHB-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.85
Rot. Bonds1

About 4-chloropiperidine-1-carbaldehyde

4-chloropiperidine-1-carbaldehyde (PubChem CID 151569678) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 4-chloropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-chloropiperidine-1-carbaldehyde
PubChem CID151569678
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name4-chloropiperidine-1-carbaldehyde
SMILESO=CN1CCC(Cl)CC1
InChIInChI=1S/C6H10ClNO/c7-6-1-3-8(5-9)4-2-6/h5-6H,1-4H2
InChIKeyQEELAONDGVKIHB-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloropiperidine-1-carbaldehyde?
The IUPAC name of 4-chloropiperidine-1-carbaldehyde (CID 151569678) is 4-chloropiperidine-1-carbaldehyde.
What is the SMILES notation for 4-chloropiperidine-1-carbaldehyde?
The canonical SMILES for 4-chloropiperidine-1-carbaldehyde is O=CN1CCC(Cl)CC1.
What is the InChIKey of 4-chloropiperidine-1-carbaldehyde?
The InChIKey is QEELAONDGVKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-6-1-3-8(5-9)4-2-6/h5-6H,1-4H2.
What are the key properties of 4-chloropiperidine-1-carbaldehyde?
4-chloropiperidine-1-carbaldehyde has a molecular weight of 147.60 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropiperidine-1-carbaldehyde is sourced from PubChem (CID 151569678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).