2-(1-benzylpyrrolidin-2-yl)ethanol;ethane

C15H25NO — CID 142002278

IUPAC2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
SMILESCC.OCCC1CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO.C2H6/c15-10-8-13-7-4-9-14(13)11-12-5-2-1-3-6-12;1-2/h1-3,5-6,13,15H,4,7-11H2;1-2H3
InChIKeyIAELAARXFSTEAN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds4

About 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane

2-(1-benzylpyrrolidin-2-yl)ethanol;ethane (PubChem CID 142002278) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
PubChem CID142002278
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
SMILESCC.OCCC1CCCN1Cc1ccccc1
InChIInChI=1S/C13H19NO.C2H6/c15-10-8-13-7-4-9-14(13)11-12-5-2-1-3-6-12;1-2/h1-3,5-6,13,15H,4,7-11H2;1-2H3
InChIKeyIAELAARXFSTEAN-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
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1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
CID 74247164
2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
CID 66565065
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane?
The IUPAC name of 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane (CID 142002278) is 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane.
What is the SMILES notation for 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane?
The canonical SMILES for 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane is CC.OCCC1CCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane?
The InChIKey is IAELAARXFSTEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c15-10-8-13-7-4-9-14(13)11-12-5-2-1-3-6-12;1-2/h1-3,5-6,13,15H,4,7-11H2;1-2H3.
What are the key properties of 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane?
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane has a molecular weight of 235.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-2-yl)ethanol;ethane is sourced from PubChem (CID 142002278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).