1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine

C18H28N2O — CID 63256920

IUPAC1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCCOc1ccc(CN2CCCCC2C2CCCN2)cc1
InChIInChI=1S/C18H28N2O/c1-2-21-16-10-8-15(9-11-16)14-20-13-4-3-7-18(20)17-6-5-12-19-17/h8-11,17-19H,2-7,12-14H2,1H3
InChIKeyGLGQDIDZXJBEMW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256920) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256920
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCCOc1ccc(CN2CCCCC2C2CCCN2)cc1
InChIInChI=1S/C18H28N2O/c1-2-21-16-10-8-15(9-11-16)14-20-13-4-3-7-18(20)17-6-5-12-19-17/h8-11,17-19H,2-7,12-14H2,1H3
InChIKeyGLGQDIDZXJBEMW-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 63256920) is 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine is CCOc1ccc(CN2CCCCC2C2CCCN2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is GLGQDIDZXJBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-21-16-10-8-15(9-11-16)14-20-13-4-3-7-18(20)17-6-5-12-19-17/h8-11,17-19H,2-7,12-14H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 288.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).