1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine

C18H28N2O — CID 60978976

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCc1ccccc1OCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C18H28N2O/c1-15-6-2-3-9-18(15)21-13-12-20-11-5-7-16(14-20)17-8-4-10-19-17/h2-3,6,9,16-17,19H,4-5,7-8,10-14H2,1H3
InChIKeyGPTXUFLIVCFJKV-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine

1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60978976) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60978976
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCc1ccccc1OCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C18H28N2O/c1-15-6-2-3-9-18(15)21-13-12-20-11-5-7-16(14-20)17-8-4-10-19-17/h2-3,6,9,16-17,19H,4-5,7-8,10-14H2,1H3
InChIKeyGPTXUFLIVCFJKV-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine (CID 60978976) is 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine is Cc1ccccc1OCCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is GPTXUFLIVCFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-6-2-3-9-18(15)21-13-12-20-11-5-7-16(14-20)17-8-4-10-19-17/h2-3,6,9,16-17,19H,4-5,7-8,10-14H2,1H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine?
1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 288.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60978976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).