(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol

C16H25NO2 — CID 99103988

IUPAC(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCC[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C16H25NO2/c1-16(14-7-4-3-5-8-14)9-6-10-17(13-16)11-15(18)12-19-2/h3-5,7-8,15,18H,6,9-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyYLAZOKUGAJYOGM-HZPDHXFCSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds5

About (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol

(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol (PubChem CID 99103988) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
PubChem CID99103988
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
SMILESCOC[C@H](O)CN1CCC[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C16H25NO2/c1-16(14-7-4-3-5-8-14)9-6-10-17(13-16)11-15(18)12-19-2/h3-5,7-8,15,18H,6,9-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyYLAZOKUGAJYOGM-HZPDHXFCSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402
(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
CID 96540288
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
N-methyl-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]-N-phenylacetamide
CID 97120184
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
CID 96540298
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(2,2-dimethylpyrrolidin-1-yl)-3-methoxypropan-2-ol
CID 63930043
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol (CID 99103988) is (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol is COC[C@H](O)CN1CCC[C@@](C)(c2ccccc2)C1.
What is the InChIKey of (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol?
The InChIKey is YLAZOKUGAJYOGM-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(14-7-4-3-5-8-14)9-6-10-17(13-16)11-15(18)12-19-2/h3-5,7-8,15,18H,6,9-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol?
(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 99103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).