[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol

C17H25NO4 — CID 125479548

IUPAC[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(c2ccccc2)([C@H]2CCCCN2)OC1
InChIInChI=1S/C17H25NO4/c19-10-16(11-20)12-21-17(22-13-16,14-6-2-1-3-7-14)15-8-4-5-9-18-15/h1-3,6-7,15,18-20H,4-5,8-13H2/t15-/m1/s1
InChIKeyHJSLDIQUCDOVDQ-OAHLLOKOSA-N
MW307.39 g/mol
LogP1.00
Rot. Bonds4

About [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol

[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol (PubChem CID 125479548) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol
PubChem CID125479548
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(c2ccccc2)([C@H]2CCCCN2)OC1
InChIInChI=1S/C17H25NO4/c19-10-16(11-20)12-21-17(22-13-16,14-6-2-1-3-7-14)15-8-4-5-9-18-15/h1-3,6-7,15,18-20H,4-5,8-13H2/t15-/m1/s1
InChIKeyHJSLDIQUCDOVDQ-OAHLLOKOSA-N
XLogP1.00
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-phenyl-1,3-dioxan-2-yl)piperidine
CID 125497415
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71741959
(1S,3S)-3-phenyl-1-[(2S)-piperidin-2-yl]-2,3-dihydroinden-1-ol
CID 92855941
[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
CID 124667692
2-[5-(2-methylphenyl)tetrazol-5-yl]piperidine
CID 90688343
(2S)-2-phenylpiperidine
CID 10997356
[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
CID 117118115
(NZ)-N-[phenyl(piperidin-2-yl)methylidene]hydroxylamine
CID 82396550
N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide
CID 167779116
1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride
CID 3052092
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
phenyl(piperidin-2-yl)methanone
CID 19772085

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol (CID 125479548) is [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol is OCC1(CO)COC(c2ccccc2)([C@H]2CCCCN2)OC1.
What is the InChIKey of [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol?
The InChIKey is HJSLDIQUCDOVDQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO4/c19-10-16(11-20)12-21-17(22-13-16,14-6-2-1-3-7-14)15-8-4-5-9-18-15/h1-3,6-7,15,18-20H,4-5,8-13H2/t15-/m1/s1.
What are the key properties of [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol?
[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol has a molecular weight of 307.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 125479548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).