1-[5-(2-methylphenoxy)pentyl]piperidine

C17H27NO — CID 2057429

IUPAC1-[5-(2-methylphenoxy)pentyl]piperidine
SMILESCc1ccccc1OCCCCCN1CCCCC1
InChIInChI=1S/C17H27NO/c1-16-10-4-5-11-17(16)19-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3
InChIKeyMVYVAEAPTPFINE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds7

About 1-[5-(2-methylphenoxy)pentyl]piperidine

1-[5-(2-methylphenoxy)pentyl]piperidine (PubChem CID 2057429) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[5-(2-methylphenoxy)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(2-methylphenoxy)pentyl]piperidine
PubChem CID2057429
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[5-(2-methylphenoxy)pentyl]piperidine
SMILESCc1ccccc1OCCCCCN1CCCCC1
InChIInChI=1S/C17H27NO/c1-16-10-4-5-11-17(16)19-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3
InChIKeyMVYVAEAPTPFINE-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.03
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-[5-(2-methylphenoxy)pentyl]piperidine?
The IUPAC name of 1-[5-(2-methylphenoxy)pentyl]piperidine (CID 2057429) is 1-[5-(2-methylphenoxy)pentyl]piperidine.
What is the SMILES notation for 1-[5-(2-methylphenoxy)pentyl]piperidine?
The canonical SMILES for 1-[5-(2-methylphenoxy)pentyl]piperidine is Cc1ccccc1OCCCCCN1CCCCC1.
What is the InChIKey of 1-[5-(2-methylphenoxy)pentyl]piperidine?
The InChIKey is MVYVAEAPTPFINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16-10-4-5-11-17(16)19-15-9-3-8-14-18-12-6-2-7-13-18/h4-5,10-11H,2-3,6-9,12-15H2,1H3.
What are the key properties of 1-[5-(2-methylphenoxy)pentyl]piperidine?
1-[5-(2-methylphenoxy)pentyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenoxy)pentyl]piperidine is sourced from PubChem (CID 2057429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).