1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone

C14H19NO2 — CID 112625956

IUPAC1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-10(16)12-3-5-14(6-4-12)15-8-7-13(9-15)11(2)17/h3-6,11,13,17H,7-9H2,1-2H3
InChIKeyLQHLXFVVXTUJAA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds3

About 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone

1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone (PubChem CID 112625956) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
PubChem CID112625956
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(C)O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-10(16)12-3-5-14(6-4-12)15-8-7-13(9-15)11(2)17/h3-6,11,13,17H,7-9H2,1-2H3
InChIKeyLQHLXFVVXTUJAA-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880
1-[1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]ethanol
CID 115966647
1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
CID 58747945
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone
CID 58747950

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone (CID 112625956) is 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCC(C(C)O)C2)cc1.
What is the InChIKey of 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone?
The InChIKey is LQHLXFVVXTUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(16)12-3-5-14(6-4-12)15-8-7-13(9-15)11(2)17/h3-6,11,13,17H,7-9H2,1-2H3.
What are the key properties of 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone?
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 112625956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).