1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine

C18H23Cl2N — CID 70080876

IUPAC1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine
SMILESCC1(CC=Cc2ccc(Cl)c(Cl)c2)CCCCN1C1CC1
InChIInChI=1S/C18H23Cl2N/c1-18(10-2-3-12-21(18)15-7-8-15)11-4-5-14-6-9-16(19)17(20)13-14/h4-6,9,13,15H,2-3,7-8,10-12H2,1H3
InChIKeyPRDXBYFRDFRXFV-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.80
Rot. Bonds4

About 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine

1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine (PubChem CID 70080876) has the molecular formula C18H23Cl2N and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine
PubChem CID70080876
Molecular FormulaC18H23Cl2N
Molecular Weight324.30 g/mol
Exact Mass323.12
IUPAC Name1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine
SMILESCC1(CC=Cc2ccc(Cl)c(Cl)c2)CCCCN1C1CC1
InChIInChI=1S/C18H23Cl2N/c1-18(10-2-3-12-21(18)15-7-8-15)11-4-5-14-6-9-16(19)17(20)13-14/h4-6,9,13,15H,2-3,7-8,10-12H2,1H3
InChIKeyPRDXBYFRDFRXFV-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine?
The IUPAC name of 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine (CID 70080876) is 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine is CC1(CC=Cc2ccc(Cl)c(Cl)c2)CCCCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine?
The InChIKey is PRDXBYFRDFRXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N/c1-18(10-2-3-12-21(18)15-7-8-15)11-4-5-14-6-9-16(19)17(20)13-14/h4-6,9,13,15H,2-3,7-8,10-12H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine?
1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine has a molecular weight of 324.30 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-methylpiperidine is sourced from PubChem (CID 70080876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).