4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine

C17H26N2O — CID 117438941

IUPAC4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine
SMILESCOc1ccc(N2CCCC2)cc1CC1CCNCC1
InChIInChI=1S/C17H26N2O/c1-20-17-5-4-16(19-10-2-3-11-19)13-15(17)12-14-6-8-18-9-7-14/h4-5,13-14,18H,2-3,6-12H2,1H3
InChIKeyAGJYHQRGSCJLSE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds4

About 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine

4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine (PubChem CID 117438941) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine
PubChem CID117438941
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine
SMILESCOc1ccc(N2CCCC2)cc1CC1CCNCC1
InChIInChI=1S/C17H26N2O/c1-20-17-5-4-16(19-10-2-3-11-19)13-15(17)12-14-6-8-18-9-7-14/h4-5,13-14,18H,2-3,6-12H2,1H3
InChIKeyAGJYHQRGSCJLSE-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine 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

(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
1-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-diazepane
CID 143534246
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine (CID 117438941) is 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine is COc1ccc(N2CCCC2)cc1CC1CCNCC1.
What is the InChIKey of 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine?
The InChIKey is AGJYHQRGSCJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17-5-4-16(19-10-2-3-11-19)13-15(17)12-14-6-8-18-9-7-14/h4-5,13-14,18H,2-3,6-12H2,1H3.
What are the key properties of 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine?
4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine has a molecular weight of 274.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117438941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).