(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one

C16H23NO4 — CID 70065546

IUPAC(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCOCOC1CCN(C(=O)[C@H](CO)c2ccccc2)CC1
InChIInChI=1S/C16H23NO4/c1-20-12-21-14-7-9-17(10-8-14)16(19)15(11-18)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3/t15-/m1/s1
InChIKeyHWXAJEAXLRXINE-OAHLLOKOSA-N
MW293.36 g/mol
LogP1.37
Rot. Bonds6

About (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one

(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 70065546) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID70065546
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCOCOC1CCN(C(=O)[C@H](CO)c2ccccc2)CC1
InChIInChI=1S/C16H23NO4/c1-20-12-21-14-7-9-17(10-8-14)16(19)15(11-18)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3/t15-/m1/s1
InChIKeyHWXAJEAXLRXINE-OAHLLOKOSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
CID 70213371
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
CID 70342538
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoic acid
CID 10250828
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70056747
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one (CID 70065546) is (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one is COCOC1CCN(C(=O)[C@H](CO)c2ccccc2)CC1.
What is the InChIKey of (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is HWXAJEAXLRXINE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-12-21-14-7-9-17(10-8-14)16(19)15(11-18)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one?
(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 293.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 70065546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).