1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride

C17H28ClNO — CID 2865429

IUPAC1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride
SMILESCC(C)c1ccccc1OCCCN1CCCCC1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-15(2)16-9-4-5-10-17(16)19-14-8-13-18-11-6-3-7-12-18;/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3;1H
InChIKeyIJDRAVMWZLQGBS-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.49
Rot. Bonds6

About 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride

1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride (PubChem CID 2865429) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride
PubChem CID2865429
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride
SMILESCC(C)c1ccccc1OCCCN1CCCCC1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-15(2)16-9-4-5-10-17(16)19-14-8-13-18-11-6-3-7-12-18;/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3;1H
InChIKeyIJDRAVMWZLQGBS-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.49
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-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride (CID 2865429) is 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride is CC(C)c1ccccc1OCCCN1CCCCC1.Cl.
What is the InChIKey of 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride?
The InChIKey is IJDRAVMWZLQGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-15(2)16-9-4-5-10-17(16)19-14-8-13-18-11-6-3-7-12-18;/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3;1H.
What are the key properties of 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride?
1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-propan-2-ylphenoxy)propyl]piperidine;hydrochloride is sourced from PubChem (CID 2865429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).