(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol

C16H33NO2 — CID 42564154

IUPAC(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H33NO2/c1-14(2,3)19-12-13(18)11-17-15(4,5)9-8-10-16(17,6)7/h13,18H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyCPNRZJGFJXKCSZ-ZDUSSCGKSA-N
MW271.44 g/mol
LogP3.21
Rot. Bonds4

About (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol

(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol (PubChem CID 42564154) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
PubChem CID42564154
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
SMILESCC(C)(C)OC[C@@H](O)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H33NO2/c1-14(2,3)19-12-13(18)11-17-15(4,5)9-8-10-16(17,6)7/h13,18H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyCPNRZJGFJXKCSZ-ZDUSSCGKSA-N
XLogP3.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol (CID 42564154) is (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol is CC(C)(C)OC[C@@H](O)CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The InChIKey is CPNRZJGFJXKCSZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H33NO2/c1-14(2,3)19-12-13(18)11-17-15(4,5)9-8-10-16(17,6)7/h13,18H,8-12H2,1-7H3/t13-/m0/s1.
What are the key properties of (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 42564154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).