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

C19H31NO2 — CID 135259547

IUPAC3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
SMILESCC1(C)CC(OCCCO)CC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C19H31NO2/c1-18(2)13-17(22-12-8-11-21)14-19(3,4)20(18)15-16-9-6-5-7-10-16/h5-7,9-10,17,21H,8,11-15H2,1-4H3
InChIKeyFQJBTJSHISGSES-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.61
Rot. Bonds6

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

3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol (PubChem CID 135259547) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
PubChem CID135259547
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
SMILESCC1(C)CC(OCCCO)CC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C19H31NO2/c1-18(2)13-17(22-12-8-11-21)14-19(3,4)20(18)15-16-9-6-5-7-10-16/h5-7,9-10,17,21H,8,11-15H2,1-4H3
InChIKeyFQJBTJSHISGSES-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol?
The IUPAC name of 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol (CID 135259547) is 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol?
The canonical SMILES for 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol is CC1(C)CC(OCCCO)CC(C)(C)N1Cc1ccccc1.
What is the InChIKey of 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol?
The InChIKey is FQJBTJSHISGSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-18(2)13-17(22-12-8-11-21)14-19(3,4)20(18)15-16-9-6-5-7-10-16/h5-7,9-10,17,21H,8,11-15H2,1-4H3.
What are the key properties of 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol?
3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol is sourced from PubChem (CID 135259547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).