benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride

C17H27ClN2O2 — CID 153383254

IUPACbenzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
SMILESCC1(C)CC(NC(=O)OCc2ccccc2)CC(C)(C)N1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-16(2)10-14(11-17(3,4)19-16)18-15(20)21-12-13-8-6-5-7-9-13;/h5-9,14,19H,10-12H2,1-4H3,(H,18,20);1H
InChIKeyHWYWWCIKTANWIB-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.64
Rot. Bonds3

About benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride

benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride (PubChem CID 153383254) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
PubChem CID153383254
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Namebenzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
SMILESCC1(C)CC(NC(=O)OCc2ccccc2)CC(C)(C)N1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-16(2)10-14(11-17(3,4)19-16)18-15(20)21-12-13-8-6-5-7-9-13;/h5-9,14,19H,10-12H2,1-4H3,(H,18,20);1H
InChIKeyHWYWWCIKTANWIB-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
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benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
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CID 66730699
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride (CID 153383254) is benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride is CC1(C)CC(NC(=O)OCc2ccccc2)CC(C)(C)N1.Cl.
What is the InChIKey of benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride?
The InChIKey is HWYWWCIKTANWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-16(2)10-14(11-17(3,4)19-16)18-15(20)21-12-13-8-6-5-7-9-13;/h5-9,14,19H,10-12H2,1-4H3,(H,18,20);1H.
What are the key properties of benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride?
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride is sourced from PubChem (CID 153383254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).