1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol

C19H31NO3 — CID 975912

IUPAC1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCc1cccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1
InChIInChI=1S/C19H31NO3/c1-14-7-6-8-17(9-14)23-13-16(22)12-20-18(2,3)10-15(21)11-19(20,4)5/h6-9,15-16,21-22H,10-13H2,1-5H3/t16-/m1/s1
InChIKeyXVIRNTHUBHEEBY-MRXNPFEDSA-N
MW321.46 g/mol
LogP2.75
Rot. Bonds5

About 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 975912) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID975912
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCc1cccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1
InChIInChI=1S/C19H31NO3/c1-14-7-6-8-17(9-14)23-13-16(22)12-20-18(2,3)10-15(21)11-19(20,4)5/h6-9,15-16,21-22H,10-13H2,1-5H3/t16-/m1/s1
InChIKeyXVIRNTHUBHEEBY-MRXNPFEDSA-N
XLogP2.75
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

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Related Compounds

1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 3412062
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 2947424
1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 1304237
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
1-(3-methylphenoxy)butan-2-ol
CID 13089920
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898554

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 975912) is 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol is Cc1cccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is XVIRNTHUBHEEBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31NO3/c1-14-7-6-8-17(9-14)23-13-16(22)12-20-18(2,3)10-15(21)11-19(20,4)5/h6-9,15-16,21-22H,10-13H2,1-5H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 321.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 975912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).