(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate

C17H34N2O3 — CID 59745296

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate
SMILESCN1C(C)(C)CC(OC(=O)NCCCCCCO)CC1(C)C
InChIInChI=1S/C17H34N2O3/c1-16(2)12-14(13-17(3,4)19(16)5)22-15(21)18-10-8-6-7-9-11-20/h14,20H,6-13H2,1-5H3,(H,18,21)
InChIKeyFOCBNMGYKAYZKF-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.92
Rot. Bonds7

About (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate

(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate (PubChem CID 59745296) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate
PubChem CID59745296
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate
SMILESCN1C(C)(C)CC(OC(=O)NCCCCCCO)CC1(C)C
InChIInChI=1S/C17H34N2O3/c1-16(2)12-14(13-17(3,4)19(16)5)22-15(21)18-10-8-6-7-9-11-20/h14,20H,6-13H2,1-5H3,(H,18,21)
InChIKeyFOCBNMGYKAYZKF-UHFFFAOYSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate (CID 59745296) is (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate is CN1C(C)(C)CC(OC(=O)NCCCCCCO)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate?
The InChIKey is FOCBNMGYKAYZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-16(2)12-14(13-17(3,4)19(16)5)22-15(21)18-10-8-6-7-9-11-20/h14,20H,6-13H2,1-5H3,(H,18,21).
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate has a molecular weight of 314.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate is sourced from PubChem (CID 59745296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).