[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate

C28H33NO3 — CID 101204019

IUPAC[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate
SMILESCC(ON1C(C)(C)CC(OC(=O)c2cccc3ccccc23)CC1(C)C)c1ccccc1
InChIInChI=1S/C28H33NO3/c1-20(21-12-7-6-8-13-21)32-29-27(2,3)18-23(19-28(29,4)5)31-26(30)25-17-11-15-22-14-9-10-16-24(22)25/h6-17,20,23H,18-19H2,1-5H3
InChIKeyVSDXGIWPMFKEOY-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.71
Rot. Bonds5

About [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate

[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate (PubChem CID 101204019) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate
PubChem CID101204019
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate
SMILESCC(ON1C(C)(C)CC(OC(=O)c2cccc3ccccc23)CC1(C)C)c1ccccc1
InChIInChI=1S/C28H33NO3/c1-20(21-12-7-6-8-13-21)32-29-27(2,3)18-23(19-28(29,4)5)31-26(30)25-17-11-15-22-14-9-10-16-24(22)25/h6-17,20,23H,18-19H2,1-5H3
InChIKeyVSDXGIWPMFKEOY-UHFFFAOYSA-N
XLogP6.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
CID 158307203
bis[1-[4-[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]ethyl] decanedioate
CID 20771162
4-ethoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
CID 89097657
tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
CID 54125950
4-O-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] 1-O-methyl but-2-enedioate
CID 69411574
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] heptanoate
CID 21361369
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
2,2,6,6-tetramethyl-4-nitroso-1-(1-phenylethoxy)piperidine
CID 91502421
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 67852784
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329

Frequently Asked Questions

What is the IUPAC name of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate?
The IUPAC name of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate (CID 101204019) is [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate.
What is the SMILES notation for [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate?
The canonical SMILES for [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate is CC(ON1C(C)(C)CC(OC(=O)c2cccc3ccccc23)CC1(C)C)c1ccccc1.
What is the InChIKey of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate?
The InChIKey is VSDXGIWPMFKEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-20(21-12-7-6-8-13-21)32-29-27(2,3)18-23(19-28(29,4)5)31-26(30)25-17-11-15-22-14-9-10-16-24(22)25/h6-17,20,23H,18-19H2,1-5H3.
What are the key properties of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate?
[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate has a molecular weight of 431.58 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] naphthalene-1-carboxylate is sourced from PubChem (CID 101204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).