1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol

C16H33ClN2O2 — CID 22255945

IUPAC1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol
SMILESCCCCN(CC(O)CCl)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H33ClN2O2/c1-6-7-8-18(12-14(20)11-17)13-9-15(2,3)19(21)16(4,5)10-13/h13-14,20-21H,6-12H2,1-5H3
InChIKeyIZKIVIZNTWCWFX-UHFFFAOYSA-N
MW320.91 g/mol
LogP3.10
Rot. Bonds7

About 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol

1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol (PubChem CID 22255945) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol
PubChem CID22255945
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC Name1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol
SMILESCCCCN(CC(O)CCl)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H33ClN2O2/c1-6-7-8-18(12-14(20)11-17)13-9-15(2,3)19(21)16(4,5)10-13/h13-14,20-21H,6-12H2,1-5H3
InChIKeyIZKIVIZNTWCWFX-UHFFFAOYSA-N
XLogP3.10
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol?
The IUPAC name of 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol (CID 22255945) is 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol.
What is the SMILES notation for 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol?
The canonical SMILES for 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol is CCCCN(CC(O)CCl)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol?
The InChIKey is IZKIVIZNTWCWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33ClN2O2/c1-6-7-8-18(12-14(20)11-17)13-9-15(2,3)19(21)16(4,5)10-13/h13-14,20-21H,6-12H2,1-5H3.
What are the key properties of 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol?
1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol has a molecular weight of 320.91 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-chloropropan-2-ol is sourced from PubChem (CID 22255945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).