2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol

C18H28N2O3 — CID 167884756

IUPAC2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CN(Cc2ccccc2N2CCOCC2)CC1CO
InChIInChI=1S/C18H28N2O3/c21-8-5-15-11-19(13-17(15)14-22)12-16-3-1-2-4-18(16)20-6-9-23-10-7-20/h1-4,15,17,21-22H,5-14H2
InChIKeyJVSHEMLNHSTNQZ-UHFFFAOYSA-N
MW320.43 g/mol
LogP0.95
Rot. Bonds6

About 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol

2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 167884756) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID167884756
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CN(Cc2ccccc2N2CCOCC2)CC1CO
InChIInChI=1S/C18H28N2O3/c21-8-5-15-11-19(13-17(15)14-22)12-16-3-1-2-4-18(16)20-6-9-23-10-7-20/h1-4,15,17,21-22H,5-14H2
InChIKeyJVSHEMLNHSTNQZ-UHFFFAOYSA-N
XLogP0.95
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
(2R)-4-[(2-morpholin-4-ylphenyl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147456
4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine
CID 166290301
2-[(2-methyl-3-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154131371
2-[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-4-yl]hexanoic acid;dihydrochloride
CID 142749275
2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 78085563
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
S-[1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706989
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol (CID 167884756) is 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CN(Cc2ccccc2N2CCOCC2)CC1CO.
What is the InChIKey of 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JVSHEMLNHSTNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-8-5-15-11-19(13-17(15)14-22)12-16-3-1-2-4-18(16)20-6-9-23-10-7-20/h1-4,15,17,21-22H,5-14H2.
What are the key properties of 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol?
2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 320.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 167884756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).