1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine

C17H22ClNO — CID 68800060

IUPAC1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine
SMILESCOC=C1CCN(CC=Cc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C17H22ClNO/c1-14-12-19(11-9-16(14)13-20-2)10-3-4-15-5-7-17(18)8-6-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyPLXSVRHEYOSIRU-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.23
Rot. Bonds4

About 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine

1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine (PubChem CID 68800060) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine
PubChem CID68800060
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine
SMILESCOC=C1CCN(CC=Cc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C17H22ClNO/c1-14-12-19(11-9-16(14)13-20-2)10-3-4-15-5-7-17(18)8-6-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyPLXSVRHEYOSIRU-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine (CID 68800060) is 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine is COC=C1CCN(CC=Cc2ccc(Cl)cc2)CC1C.
What is the InChIKey of 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine?
The InChIKey is PLXSVRHEYOSIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-14-12-19(11-9-16(14)13-20-2)10-3-4-15-5-7-17(18)8-6-15/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine?
1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine has a molecular weight of 291.82 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)prop-2-enyl]-4-(methoxymethylidene)-3-methylpiperidine is sourced from PubChem (CID 68800060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).