(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine

C15H21Cl2N — CID 16102764

IUPAC2-[1-(3,4-dichlorophenyl)butyl]piperidine
SMILESCCCC(C1CCCCN1)C2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3
InChIKeyUSGRALLMTYXJMV-UHFFFAOYSA-N
MW286.20 g/mol
LogP5.10
Rot. Bonds4

About (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine

(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine (PubChem CID 16102764) has the molecular formula C15H21Cl2N and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)butyl]piperidine.

Molecular Properties

Compound Name(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
PubChem CID16102764
Molecular FormulaC15H21Cl2N
Molecular Weight286.20 g/mol
Exact Mass285.11
IUPAC Name2-[1-(3,4-dichlorophenyl)butyl]piperidine
SMILESCCCC(C1CCCCN1)C2=CC(=C(C=C2)Cl)Cl
InChIInChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3
InChIKeyUSGRALLMTYXJMV-UHFFFAOYSA-N
XLogP5.10
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity247

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.20
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine?
The IUPAC name of (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine (CID 16102764) is 2-[1-(3,4-dichlorophenyl)butyl]piperidine.
What is the SMILES notation for (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine?
The canonical SMILES for (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine is CCCC(C1CCCCN1)C2=CC(=C(C=C2)Cl)Cl.
What is the InChIKey of (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine?
The InChIKey is USGRALLMTYXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3.
What are the key properties of (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine?
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine has a molecular weight of 286.20 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine is sourced from PubChem (CID 16102764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).