[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone

C18H26N2O3 — CID 110883057

IUPAC[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(CC(O)c2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C18H26N2O3/c21-17(15-5-2-1-3-6-15)14-19-8-4-7-16(13-19)18(22)20-9-11-23-12-10-20/h1-3,5-6,16-17,21H,4,7-14H2
InChIKeyAVGUENWYJPALOI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.29
Rot. Bonds4

About [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 110883057) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID110883057
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(CC(O)c2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C18H26N2O3/c21-17(15-5-2-1-3-6-15)14-19-8-4-7-16(13-19)18(22)20-9-11-23-12-10-20/h1-3,5-6,16-17,21H,4,7-14H2
InChIKeyAVGUENWYJPALOI-UHFFFAOYSA-N
XLogP1.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119277072
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 134051348
1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 82215837
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 110883057) is [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(CC(O)c2ccccc2)C1)N1CCOCC1.
What is the InChIKey of [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is AVGUENWYJPALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(15-5-2-1-3-6-15)14-19-8-4-7-16(13-19)18(22)20-9-11-23-12-10-20/h1-3,5-6,16-17,21H,4,7-14H2.
What are the key properties of [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 318.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110883057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).