1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol

C21H35NO3 — CID 7025105

IUPAC1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)c1ccccc1OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C21H35NO3/c1-15(2)18-9-7-8-10-19(18)25-14-17(24)13-22-20(3,4)11-16(23)12-21(22,5)6/h7-10,15-17,23-24H,11-14H2,1-6H3/t17-/m0/s1
InChIKeyIPTUVWGSQJSMDQ-KRWDZBQOSA-N
MW349.52 g/mol
LogP3.56
Rot. Bonds6

About 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 7025105) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID7025105
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)c1ccccc1OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C21H35NO3/c1-15(2)18-9-7-8-10-19(18)25-14-17(24)13-22-20(3,4)11-16(23)12-21(22,5)6/h7-10,15-17,23-24H,11-14H2,1-6H3/t17-/m0/s1
InChIKeyIPTUVWGSQJSMDQ-KRWDZBQOSA-N
XLogP3.56
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 7025105) is 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC(C)c1ccccc1OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is IPTUVWGSQJSMDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H35NO3/c1-15(2)18-9-7-8-10-19(18)25-14-17(24)13-22-20(3,4)11-16(23)12-21(22,5)6/h7-10,15-17,23-24H,11-14H2,1-6H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 349.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 7025105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).