2-(3,5-dibenzylpyrrolidin-3-yl)ethanol

C20H25NO — CID 174325742

IUPAC2-(3,5-dibenzylpyrrolidin-3-yl)ethanol
SMILESOCCC1(Cc2ccccc2)CNC(Cc2ccccc2)C1
InChIInChI=1S/C20H25NO/c22-12-11-20(14-18-9-5-2-6-10-18)15-19(21-16-20)13-17-7-3-1-4-8-17/h1-10,19,21-22H,11-16H2
InChIKeyGADPHVMZGAQOHS-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.20
Rot. Bonds6

About 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol

2-(3,5-dibenzylpyrrolidin-3-yl)ethanol (PubChem CID 174325742) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dibenzylpyrrolidin-3-yl)ethanol
PubChem CID174325742
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(3,5-dibenzylpyrrolidin-3-yl)ethanol
SMILESOCCC1(Cc2ccccc2)CNC(Cc2ccccc2)C1
InChIInChI=1S/C20H25NO/c22-12-11-20(14-18-9-5-2-6-10-18)15-19(21-16-20)13-17-7-3-1-4-8-17/h1-10,19,21-22H,11-16H2
InChIKeyGADPHVMZGAQOHS-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-4,4-difluoropyrrolidine;hydrochloride
CID 115039893
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
CID 126483740
1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
CID 82248413
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 82667479
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
(4,4-diphenylpyrrolidin-2-yl)methanamine
CID 101438114
4-[[(2R,5R)-5-benzylpiperazin-2-yl]methyl]phenol
CID 171358745
dimethyl 2-benzylpiperidine-4,4-dicarboxylate
CID 162768511
5,5-dibenzyl-1,3-diazinan-2-one
CID 10978856
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol (CID 174325742) is 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol is OCCC1(Cc2ccccc2)CNC(Cc2ccccc2)C1.
What is the InChIKey of 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol?
The InChIKey is GADPHVMZGAQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-12-11-20(14-18-9-5-2-6-10-18)15-19(21-16-20)13-17-7-3-1-4-8-17/h1-10,19,21-22H,11-16H2.
What are the key properties of 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol?
2-(3,5-dibenzylpyrrolidin-3-yl)ethanol has a molecular weight of 295.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibenzylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 174325742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).