(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate

C17H34N2O2 — CID 54571044

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
SMILESCCCCCCNC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-7-8-9-10-11-18-15(20)21-14-12-16(2,3)19(6)17(4,5)13-14/h14H,7-13H2,1-6H3,(H,18,20)
InChIKeyZXGQKCYSROKECC-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.94
Rot. Bonds6

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

(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate (PubChem CID 54571044) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
PubChem CID54571044
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
SMILESCCCCCCNC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-7-8-9-10-11-18-15(20)21-14-12-16(2,3)19(6)17(4,5)13-14/h14H,7-13H2,1-6H3,(H,18,20)
InChIKeyZXGQKCYSROKECC-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.94
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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Related Compounds

1,2,2,6,6-pentamethylpiperidin-4-ol;(1,2,2,6,6-pentamethylpiperidin-4-yl) N-heptylcarbamate;(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-isocyanatohexyl)carbamate
CID 90879309
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
CID 122576180
cyclopropyl N-butylcarbamate
CID 165447718
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate
CID 19892356
(2,2,6,6-tetramethylpiperidin-1-yl) N-hexylcarbamate
CID 141397797
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
methyl N-nonylcarbamate
CID 5102101
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate (CID 54571044) is (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate is CCCCCCNC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate?
The InChIKey is ZXGQKCYSROKECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-8-9-10-11-18-15(20)21-14-12-16(2,3)19(6)17(4,5)13-14/h14H,7-13H2,1-6H3,(H,18,20).
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate has a molecular weight of 298.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate is sourced from PubChem (CID 54571044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).