1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine

C15H19Cl2N — CID 134241853

IUPAC1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCCN(Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-11(2)13-4-3-5-18(10-13)9-12-6-14(16)8-15(17)7-12/h6-8H,3-5,9-10H2,1-2H3
InChIKeyWLRYQHUSQSYARG-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.93
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine

1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine (PubChem CID 134241853) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine
PubChem CID134241853
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCCN(Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-11(2)13-4-3-5-18(10-13)9-12-6-14(16)8-15(17)7-12/h6-8H,3-5,9-10H2,1-2H3
InChIKeyWLRYQHUSQSYARG-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine (CID 134241853) is 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine is CC(C)=C1CCCN(Cc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine?
The InChIKey is WLRYQHUSQSYARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-11(2)13-4-3-5-18(10-13)9-12-6-14(16)8-15(17)7-12/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine?
1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine has a molecular weight of 284.23 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine is sourced from PubChem (CID 134241853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).