1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

C18H33NO3 — CID 42589268

IUPAC1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC#C[C@](C)(CC)OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C18H33NO3/c1-8-18(7,9-2)22-13-15(21)12-19-16(3,4)10-14(20)11-17(19,5)6/h1,14-15,20-21H,9-13H2,2-7H3/t15-,18-/m1/s1
InChIKeyUPMWKRCNVAHMBF-CRAIPNDOSA-N
MW311.47 g/mol
LogP2.18
Rot. Bonds6

About 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 42589268) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID42589268
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC#C[C@](C)(CC)OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C18H33NO3/c1-8-18(7,9-2)22-13-15(21)12-19-16(3,4)10-14(20)11-17(19,5)6/h1,14-15,20-21H,9-13H2,2-7H3/t15-,18-/m1/s1
InChIKeyUPMWKRCNVAHMBF-CRAIPNDOSA-N
XLogP2.18
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-(Tert-butoxy)-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 16456270
1-(Cyclopentyloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16876996
1-(Tert-pentyloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16958214
1-{2-Hydroxy-3-[(2-methylbutan-2-yl)oxy]propyl}-2,2,6,6-tetramethylpiperidin-4-ol
CID 16958218
1-(3-(Cyclohexyloxy)-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 18592787
1-{2-Hydroxy-3-[(3-methylpent-1-YN-3-YL)oxy]propyl}-2,2,6,6-tetramethylpiperidin-4-OL
CID 44117110
(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 42564154
1-(2-Hydroxy-3-isopropoxypropyl)-2,2,6,6-tetramethyl-4-piperidinol
CID 2946857
1-(1-Ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 16876958
1-[3-(1-Ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 16876963
1-[3-(Cyclopentyloxy)-2-hydroxypropyl]-2,2,6,6-tetramethyl-4-piperidinol
CID 16877000
1-(1,1-Dimethylpropoxy)-3-(2,2,6,6-tetramethyl-1-piperidinyl)-2-propanol hydrochloride
CID 16958215

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 42589268) is 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is C#C[C@](C)(CC)OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is UPMWKRCNVAHMBF-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H33NO3/c1-8-18(7,9-2)22-13-15(21)12-19-16(3,4)10-14(20)11-17(19,5)6/h1,14-15,20-21H,9-13H2,2-7H3/t15-,18-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(2R)-2-hydroxy-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 311.47 g/mol, XLogP of 2.18, 6 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-[(3S)-3-methylpent-1-yn-3-yl]oxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 42589268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).