1-[4-(2,4-dimethylphenoxy)butyl]piperidine

C17H27NO — CID 2057668

IUPAC1-[4-(2,4-dimethylphenoxy)butyl]piperidine
SMILESCc1ccc(OCCCCN2CCCCC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-15-8-9-17(16(2)14-15)19-13-7-6-12-18-10-4-3-5-11-18/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyRJCMIWCXHFWJDN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds6

About 1-[4-(2,4-dimethylphenoxy)butyl]piperidine

1-[4-(2,4-dimethylphenoxy)butyl]piperidine (PubChem CID 2057668) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenoxy)butyl]piperidine
PubChem CID2057668
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-(2,4-dimethylphenoxy)butyl]piperidine
SMILESCc1ccc(OCCCCN2CCCCC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-15-8-9-17(16(2)14-15)19-13-7-6-12-18-10-4-3-5-11-18/h8-9,14H,3-7,10-13H2,1-2H3
InChIKeyRJCMIWCXHFWJDN-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(2,4-dimethylphenoxy)butyl]piperidine (CID 2057668) is 1-[4-(2,4-dimethylphenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(2,4-dimethylphenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(2,4-dimethylphenoxy)butyl]piperidine is Cc1ccc(OCCCCN2CCCCC2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenoxy)butyl]piperidine?
The InChIKey is RJCMIWCXHFWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-8-9-17(16(2)14-15)19-13-7-6-12-18-10-4-3-5-11-18/h8-9,14H,3-7,10-13H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethylphenoxy)butyl]piperidine?
1-[4-(2,4-dimethylphenoxy)butyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenoxy)butyl]piperidine is sourced from PubChem (CID 2057668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).