(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol

C19H31NO3 — CID 164685237

IUPAC(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol
SMILESCOc1ccc(C[C@@H](CO)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H31NO3/c1-18(2)11-6-12-19(3,4)20(18)23-17(14-21)13-15-7-9-16(22-5)10-8-15/h7-10,17,21H,6,11-14H2,1-5H3/t17-/m0/s1
InChIKeyGJQMYXZMTRDFLH-KRWDZBQOSA-N
MW321.46 g/mol
LogP3.57
Rot. Bonds6

About (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol

(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol (PubChem CID 164685237) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol
PubChem CID164685237
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol
SMILESCOc1ccc(C[C@@H](CO)ON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C19H31NO3/c1-18(2)11-6-12-19(3,4)20(18)23-17(14-21)13-15-7-9-16(22-5)10-8-15/h7-10,17,21H,6,11-14H2,1-5H3/t17-/m0/s1
InChIKeyGJQMYXZMTRDFLH-KRWDZBQOSA-N
XLogP3.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
CID 26649
2-[4-(3-Piperidin-1-ylpropoxy)phenyl]ethanol
CID 11129149
(2R)-3-[(2R,6S)-2,6-bis[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 49778923
4-[4-(3-Piperidin-1-ylpropoxy)phenyl]butan-2-ol
CID 71601698
2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
CID 71601842
(2R)-3-[(2S,6R)-2,6-bis[(4-methoxyphenyl)methyl]piperidin-1-yl]propane-1,2-diol
CID 76318465
(2S)-3-[(2R,6S)-2,6-bis[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 76329335
CID 49778922
CID 49778922
1-(4-Methoxyphenyl)-3-(4-morpholinyl)-2-propanol
CID 412759
1-(4-Methoxyphenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
CID 15048609
1-[3-(4-Ethylphenoxy)-2-hydroxypropyl]piperidin-4-ol
CID 45793728
1-(4-Methoxyphenyl)-3-morpholin-4-ylpropan-2-OL hydrochloride
CID 53422164

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol?
The IUPAC name of (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol (CID 164685237) is (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol.
What is the SMILES notation for (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol?
The canonical SMILES for (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol is COc1ccc(C[C@@H](CO)ON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol?
The InChIKey is GJQMYXZMTRDFLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31NO3/c1-18(2)11-6-12-19(3,4)20(18)23-17(14-21)13-15-7-9-16(22-5)10-8-15/h7-10,17,21H,6,11-14H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol?
(2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methoxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-ol is sourced from PubChem (CID 164685237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).