1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate

C19H32N2O2 — CID 67933670

IUPAC1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
SMILESCC1CC(C)(C)N(Cc2ccccc2)C(C)(C)C1.COC(N)=O
InChIInChI=1S/C17H27N.C2H5NO2/c1-14-11-16(2,3)18(17(4,5)12-14)13-15-9-7-6-8-10-15;1-5-2(3)4/h6-10,14H,11-13H2,1-5H3;1H3,(H2,3,4)
InChIKeyLCIBLCOUWVSJLV-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.19
Rot. Bonds2

About 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate

1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate (PubChem CID 67933670) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate.

Molecular Properties

Compound Name1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
PubChem CID67933670
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
SMILESCC1CC(C)(C)N(Cc2ccccc2)C(C)(C)C1.COC(N)=O
InChIInChI=1S/C17H27N.C2H5NO2/c1-14-11-16(2,3)18(17(4,5)12-14)13-15-9-7-6-8-10-15;1-5-2(3)4/h6-10,14H,11-13H2,1-5H3;1H3,(H2,3,4)
InChIKeyLCIBLCOUWVSJLV-UHFFFAOYSA-N
XLogP4.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 87175148
(Z)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 22496642
1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde
CID 170430014
bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 54571692
methyl 3-[[3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-oxopropyl]-[3-[[3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-oxopropyl]-(3-methoxy-3-oxopropyl)amino]cyclopentyl]amino]propanoate
CID 163787388
(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate
CID 22507419
1-benzyl-N-ethyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 20501093
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 135259547
[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate
CID 90281726
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate?
The IUPAC name of 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate (CID 67933670) is 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate.
What is the SMILES notation for 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate?
The canonical SMILES for 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate is CC1CC(C)(C)N(Cc2ccccc2)C(C)(C)C1.COC(N)=O.
What is the InChIKey of 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate?
The InChIKey is LCIBLCOUWVSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C2H5NO2/c1-14-11-16(2,3)18(17(4,5)12-14)13-15-9-7-6-8-10-15;1-5-2(3)4/h6-10,14H,11-13H2,1-5H3;1H3,(H2,3,4).
What are the key properties of 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate?
1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate is sourced from PubChem (CID 67933670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).