(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol

C19H29NO3 — CID 124883143

IUPAC(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H29NO3/c21-19(16-6-2-1-3-7-16)14-20-11-9-17(10-12-20)23-15-18-8-4-5-13-22-18/h1-3,6-7,17-19,21H,4-5,8-15H2/t18-,19+/m0/s1
InChIKeyCUKWYZQFCOHVPI-RBUKOAKNSA-N
MW319.44 g/mol
LogP2.77
Rot. Bonds6

About (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol

(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol (PubChem CID 124883143) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
PubChem CID124883143
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H29NO3/c21-19(16-6-2-1-3-7-16)14-20-11-9-17(10-12-20)23-15-18-8-4-5-13-22-18/h1-3,6-7,17-19,21H,4-5,8-15H2/t18-,19+/m0/s1
InChIKeyCUKWYZQFCOHVPI-RBUKOAKNSA-N
XLogP2.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447431
1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 96558685
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450352
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide
CID 109449485
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
N-ethyl-N'-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447139
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 97157965

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol (CID 124883143) is (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol is O[C@H](CN1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1.
What is the InChIKey of (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol?
The InChIKey is CUKWYZQFCOHVPI-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H29NO3/c21-19(16-6-2-1-3-7-16)14-20-11-9-17(10-12-20)23-15-18-8-4-5-13-22-18/h1-3,6-7,17-19,21H,4-5,8-15H2/t18-,19+/m0/s1.
What are the key properties of (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol?
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol has a molecular weight of 319.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 124883143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).