2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol

C17H26N2O — CID 62275062

IUPAC2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CCCC1C1CCCN1
InChIInChI=1S/C17H26N2O/c1-2-15(13-7-3-4-10-17(13)20)19-12-6-9-16(19)14-8-5-11-18-14/h3-4,7,10,14-16,18,20H,2,5-6,8-9,11-12H2,1H3
InChIKeyYANOXTAXPMCMBE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.06
Rot. Bonds4

About 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol

2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol (PubChem CID 62275062) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol
PubChem CID62275062
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CCCC1C1CCCN1
InChIInChI=1S/C17H26N2O/c1-2-15(13-7-3-4-10-17(13)20)19-12-6-9-16(19)14-8-5-11-18-14/h3-4,7,10,14-16,18,20H,2,5-6,8-9,11-12H2,1H3
InChIKeyYANOXTAXPMCMBE-UHFFFAOYSA-N
XLogP3.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]phenol
CID 82981782
1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274052
1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256309
1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
CID 62274223
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
1-[1-(2-hydroxyphenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382768
1-nonan-2-yl-2-pyrrolidin-2-ylpyrrolidine
CID 55053955
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
1-[1-(2-hydroxyphenyl)propyl]-2-methylpiperidine-4-carboxylic acid
CID 106745298
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol?
The IUPAC name of 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol (CID 62275062) is 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol.
What is the SMILES notation for 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol?
The canonical SMILES for 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol is CCC(c1ccccc1O)N1CCCC1C1CCCN1.
What is the InChIKey of 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol?
The InChIKey is YANOXTAXPMCMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-15(13-7-3-4-10-17(13)20)19-12-6-9-16(19)14-8-5-11-18-14/h3-4,7,10,14-16,18,20H,2,5-6,8-9,11-12H2,1H3.
What are the key properties of 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol?
2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol has a molecular weight of 274.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol is sourced from PubChem (CID 62275062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).