[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride

C18H27ClN2O3 — CID 110012128

IUPAC[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCOCC2CC(O)c2ccccc2)CCCN1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-18(8-5-9-19-18)17(22)20-10-11-23-13-15(20)12-16(21)14-6-3-2-4-7-14;/h2-4,6-7,15-16,19,21H,5,8-13H2,1H3;1H
InChIKeyJARYMTIMBKAHFJ-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.90
Rot. Bonds4

About [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride

[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride (PubChem CID 110012128) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride
PubChem CID110012128
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCOCC2CC(O)c2ccccc2)CCCN1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-18(8-5-9-19-18)17(22)20-10-11-23-13-15(20)12-16(21)14-6-3-2-4-7-14;/h2-4,6-7,15-16,19,21H,5,8-13H2,1H3;1H
InChIKeyJARYMTIMBKAHFJ-UHFFFAOYSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone
CID 110011953
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225
N-[(1-cyclopropylcyclopropyl)methyl]-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499793
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
CID 97061516
(3R)-N-(4-cyclopentyloxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014789
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
(3S)-N-(4-acetamido-3-methoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97058385
[(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(1-methylsulfonylcyclopropyl)methanone
CID 124734590
(3-ethylmorpholin-4-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83071481

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride (CID 110012128) is [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride is CC1(C(=O)N2CCOCC2CC(O)c2ccccc2)CCCN1.Cl.
What is the InChIKey of [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride?
The InChIKey is JARYMTIMBKAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-18(8-5-9-19-18)17(22)20-10-11-23-13-15(20)12-16(21)14-6-3-2-4-7-14;/h2-4,6-7,15-16,19,21H,5,8-13H2,1H3;1H.
What are the key properties of [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride?
[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 110012128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).