2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate

C18H27NO2 — CID 150487306

IUPAC2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(C(=O)OCCc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C18H27NO2/c1-17(2)12-15(13-18(3,4)19-17)16(20)21-11-10-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3
InChIKeyHVBDLILIBKPKTF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds4

About 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate

2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 150487306) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID150487306
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(C(=O)OCCc2ccccc2)CC(C)(C)N1
InChIInChI=1S/C18H27NO2/c1-17(2)12-15(13-18(3,4)19-17)16(20)21-11-10-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3
InChIKeyHVBDLILIBKPKTF-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 162127881
2-phenylethyl acetate
CID 7654
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
acetic acid;2-phenylethyl acetate
CID 174791962
2-phenylethyl oxane-2-carboxylate
CID 151584016
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-(2-benzylphenyl)propanedioate
CID 70576669
2-phenylethyl 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetate
CID 150394409
2-phenylethyl 2,4,6-trimethylcyclohex-3-ene-1-carboxylate
CID 175118402
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 87619863

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 150487306) is 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC(C(=O)OCCc2ccccc2)CC(C)(C)N1.
What is the InChIKey of 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is HVBDLILIBKPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)12-15(13-18(3,4)19-17)16(20)21-11-10-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3.
What are the key properties of 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 150487306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).