4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine

C14H19Cl2N — CID 79321406

IUPAC4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-9(2)13-8-17-6-5-11(13)12-4-3-10(15)7-14(12)16/h3-4,7,9,11,13,17H,5-6,8H2,1-2H3
InChIKeyYARGWVHRSJNIAX-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.34
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine

4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine (PubChem CID 79321406) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
PubChem CID79321406
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-9(2)13-8-17-6-5-11(13)12-4-3-10(15)7-14(12)16/h3-4,7,9,11,13,17H,5-6,8H2,1-2H3
InChIKeyYARGWVHRSJNIAX-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine (CID 79321406) is 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine is CC(C)C1CNCCC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine?
The InChIKey is YARGWVHRSJNIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9(2)13-8-17-6-5-11(13)12-4-3-10(15)7-14(12)16/h3-4,7,9,11,13,17H,5-6,8H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine?
4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine has a molecular weight of 272.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 79321406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).