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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256226
1-[(4-ethoxyphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678074
methyl 4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzoate
CID 62274393
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875
1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 79972574
1-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274395
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
(3aR,8aR)-4-[(3-chlorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143434

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).