1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine

C18H23Cl2N — CID 54267032

IUPAC1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine
SMILESClc1ccc(C=CCC2CCCCN2CC2CC2)cc1Cl
InChIInChI=1S/C18H23Cl2N/c19-17-10-9-14(12-18(17)20)4-3-6-16-5-1-2-11-21(16)13-15-7-8-15/h3-4,9-10,12,15-16H,1-2,5-8,11,13H2
InChIKeyRHMKRQUNRWUKSX-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.66
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine

1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine (PubChem CID 54267032) has the molecular formula C18H23Cl2N and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine
PubChem CID54267032
Molecular FormulaC18H23Cl2N
Molecular Weight324.30 g/mol
Exact Mass323.12
IUPAC Name1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine
SMILESClc1ccc(C=CCC2CCCCN2CC2CC2)cc1Cl
InChIInChI=1S/C18H23Cl2N/c19-17-10-9-14(12-18(17)20)4-3-6-16-5-1-2-11-21(16)13-15-7-8-15/h3-4,9-10,12,15-16H,1-2,5-8,11,13H2
InChIKeyRHMKRQUNRWUKSX-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine (CID 54267032) is 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine is Clc1ccc(C=CCC2CCCCN2CC2CC2)cc1Cl.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine?
The InChIKey is RHMKRQUNRWUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N/c19-17-10-9-14(12-18(17)20)4-3-6-16-5-1-2-11-21(16)13-15-7-8-15/h3-4,9-10,12,15-16H,1-2,5-8,11,13H2.
What are the key properties of 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine?
1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine has a molecular weight of 324.30 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[3-(3,4-dichlorophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 54267032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).