4-(2,3-dichlorophenyl)-3-propylpiperidine

C14H19Cl2N — CID 79320625

IUPAC4-(2,3-dichlorophenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-4-10-9-17-8-7-11(10)12-5-3-6-13(15)14(12)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeyIACGDGOVOWLSHK-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.49
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-3-propylpiperidine

4-(2,3-dichlorophenyl)-3-propylpiperidine (PubChem CID 79320625) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-propylpiperidine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-3-propylpiperidine
PubChem CID79320625
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name4-(2,3-dichlorophenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-4-10-9-17-8-7-11(10)12-5-3-6-13(15)14(12)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeyIACGDGOVOWLSHK-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-3-propylpiperidine?
The IUPAC name of 4-(2,3-dichlorophenyl)-3-propylpiperidine (CID 79320625) is 4-(2,3-dichlorophenyl)-3-propylpiperidine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-propylpiperidine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-3-propylpiperidine is CCCC1CNCCC1c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-3-propylpiperidine?
The InChIKey is IACGDGOVOWLSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-4-10-9-17-8-7-11(10)12-5-3-6-13(15)14(12)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3.
What are the key properties of 4-(2,3-dichlorophenyl)-3-propylpiperidine?
4-(2,3-dichlorophenyl)-3-propylpiperidine has a molecular weight of 272.22 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-3-propylpiperidine is sourced from PubChem (CID 79320625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).