2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

C18H26N2O2 — CID 111490219

IUPAC2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1CC(O)c1ccccc1)N1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17(15-7-2-1-3-8-15)13-16-9-6-12-20(16)14-18(22)19-10-4-5-11-19/h1-3,7-8,16-17,21H,4-6,9-14H2
InChIKeyRHOMSKMNMAXUMJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.20
Rot. Bonds5

About 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 111490219) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID111490219
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1CC(O)c1ccccc1)N1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17(15-7-2-1-3-8-15)13-16-9-6-12-20(16)14-18(22)19-10-4-5-11-19/h1-3,7-8,16-17,21H,4-6,9-14H2
InChIKeyRHOMSKMNMAXUMJ-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
4-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanenitrile
CID 111490109
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-methylpyrrolidin-1-yl)ethanone
CID 111446715
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
1,3-dithiolan-2-yl-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124742146
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 96534875
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95974867
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 111490219) is 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCCC1CC(O)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RHOMSKMNMAXUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(15-7-2-1-3-8-15)13-16-9-6-12-20(16)14-18(22)19-10-4-5-11-19/h1-3,7-8,16-17,21H,4-6,9-14H2.
What are the key properties of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 111490219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).