1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde

C9H14ClNO — CID 76947969

IUPAC1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC=CCl)C1
InChIInChI=1S/C9H14ClNO/c10-4-2-6-11-5-1-3-9(7-11)8-12/h2,4,8-9H,1,3,5-7H2
InChIKeySBDFBPNZBOCCSB-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.65
Rot. Bonds3

About 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde

1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde (PubChem CID 76947969) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde
PubChem CID76947969
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC=CCl)C1
InChIInChI=1S/C9H14ClNO/c10-4-2-6-11-5-1-3-9(7-11)8-12/h2,4,8-9H,1,3,5-7H2
InChIKeySBDFBPNZBOCCSB-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde (CID 76947969) is 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde is O=CC1CCCN(CC=CCl)C1.
What is the InChIKey of 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde?
The InChIKey is SBDFBPNZBOCCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-4-2-6-11-5-1-3-9(7-11)8-12/h2,4,8-9H,1,3,5-7H2.
What are the key properties of 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde?
1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde has a molecular weight of 187.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-2-enyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 76947969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).