1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine

C29H42N2O — CID 25115343

IUPAC1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
SMILESCC(CN1CCC(Oc2ccccc2CCCCCN2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C29H42N2O/c1-25(26-12-4-2-5-13-26)24-31-22-17-28(18-23-31)32-29-16-8-7-15-27(29)14-6-3-9-19-30-20-10-11-21-30/h2,4-5,7-8,12-13,15-16,25,28H,3,6,9-11,14,17-24H2,1H3
InChIKeyUJCIOAPTDJXEKB-UHFFFAOYSA-N
MW434.67 g/mol
LogP6.14
Rot. Bonds11

About 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine

1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine (PubChem CID 25115343) has the molecular formula C29H42N2O and a molecular weight of 434.67 g/mol. Its IUPAC name is 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
PubChem CID25115343
Molecular FormulaC29H42N2O
Molecular Weight434.67 g/mol
Exact Mass434.33
IUPAC Name1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
SMILESCC(CN1CCC(Oc2ccccc2CCCCCN2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C29H42N2O/c1-25(26-12-4-2-5-13-26)24-31-22-17-28(18-23-31)32-29-16-8-7-15-27(29)14-6-3-9-19-30-20-10-11-21-30/h2,4-5,7-8,12-13,15-16,25,28H,3,6,9-11,14,17-24H2,1H3
InChIKeyUJCIOAPTDJXEKB-UHFFFAOYSA-N
XLogP6.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]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

3-(azepan-1-yl)-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]propan-1-amine
CID 25115116
2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine
CID 25114669
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046
1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
CID 170863354
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883905
N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 25116503
[4-methoxy-2-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26409730
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
2-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-4-propan-2-ylbenzoic acid
CID 68881168
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine?
The IUPAC name of 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine (CID 25115343) is 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine.
What is the SMILES notation for 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine?
The canonical SMILES for 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine is CC(CN1CCC(Oc2ccccc2CCCCCN2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine?
The InChIKey is UJCIOAPTDJXEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O/c1-25(26-12-4-2-5-13-26)24-31-22-17-28(18-23-31)32-29-16-8-7-15-27(29)14-6-3-9-19-30-20-10-11-21-30/h2,4-5,7-8,12-13,15-16,25,28H,3,6,9-11,14,17-24H2,1H3.
What are the key properties of 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine?
1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine has a molecular weight of 434.67 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine is sourced from PubChem (CID 25115343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).