2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate

C19H33NO3 — CID 146366977

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
SMILESCC#CC(C)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C19H33NO3/c1-7-8-15(2)9-10-17(22)23-12-11-20-18(3,4)13-16(21)14-19(20,5)6/h15-16,21H,9-14H2,1-6H3
InChIKeyBJSVBENWCODSGA-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate (PubChem CID 146366977) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
PubChem CID146366977
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
SMILESCC#CC(C)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C19H33NO3/c1-7-8-15(2)9-10-17(22)23-12-11-20-18(3,4)13-16(21)14-19(20,5)6/h15-16,21H,9-14H2,1-6H3
InChIKeyBJSVBENWCODSGA-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
CID 123960864
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123594724
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate
CID 129289120
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen
CID 159289923
diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 67825631
2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 158949266
4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
CID 22900076
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 123159299
1-[2-(6,6-dimethyldec-1-en-7-yn-2-yloxy)ethyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 155154771
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
CID 91484074
ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate
CID 102280633
1-(1-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 22165910

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate (CID 146366977) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate is CC#CC(C)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate?
The InChIKey is BJSVBENWCODSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-7-8-15(2)9-10-17(22)23-12-11-20-18(3,4)13-16(21)14-19(20,5)6/h15-16,21H,9-14H2,1-6H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate has a molecular weight of 323.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate is sourced from PubChem (CID 146366977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).