2-chloro-3-methylidenepiperidine

C6H10ClN — CID 90875283

IUPAC2-chloro-3-methylidenepiperidine
SMILESC=C1CCCNC1Cl
InChIInChI=1S/C6H10ClN/c1-5-3-2-4-8-6(5)7/h6,8H,1-4H2
InChIKeyPDGSSMKDQVLYRV-UHFFFAOYSA-N
MW131.61 g/mol
LogP1.49
Rot. Bonds

About 2-chloro-3-methylidenepiperidine

2-chloro-3-methylidenepiperidine (PubChem CID 90875283) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 2-chloro-3-methylidenepiperidine.

Molecular Properties

Compound Name2-chloro-3-methylidenepiperidine
PubChem CID90875283
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name2-chloro-3-methylidenepiperidine
SMILESC=C1CCCNC1Cl
InChIInChI=1S/C6H10ClN/c1-5-3-2-4-8-6(5)7/h6,8H,1-4H2
InChIKeyPDGSSMKDQVLYRV-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylidenepiperidine?
The IUPAC name of 2-chloro-3-methylidenepiperidine (CID 90875283) is 2-chloro-3-methylidenepiperidine.
What is the SMILES notation for 2-chloro-3-methylidenepiperidine?
The canonical SMILES for 2-chloro-3-methylidenepiperidine is C=C1CCCNC1Cl.
What is the InChIKey of 2-chloro-3-methylidenepiperidine?
The InChIKey is PDGSSMKDQVLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c1-5-3-2-4-8-6(5)7/h6,8H,1-4H2.
What are the key properties of 2-chloro-3-methylidenepiperidine?
2-chloro-3-methylidenepiperidine has a molecular weight of 131.61 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylidenepiperidine is sourced from PubChem (CID 90875283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).