tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate

C18H28N2O3 — CID 69414976

IUPACtert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)15(19)18(22)9-11-20(12-10-18)13-14-7-5-4-6-8-14/h4-8,15,22H,9-13,19H2,1-3H3
InChIKeyJRORNNULHDZAEQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.68
Rot. Bonds4

About tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate

tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate (PubChem CID 69414976) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
PubChem CID69414976
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)15(19)18(22)9-11-20(12-10-18)13-14-7-5-4-6-8-14/h4-8,15,22H,9-13,19H2,1-3H3
InChIKeyJRORNNULHDZAEQ-UHFFFAOYSA-N
XLogP1.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
tert-butyl 9-benzyl-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 66545135
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
CID 125130365
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
CID 175653869
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate?
The IUPAC name of tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate (CID 69414976) is tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate is CC(C)(C)OC(=O)C(N)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate?
The InChIKey is JRORNNULHDZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)15(19)18(22)9-11-20(12-10-18)13-14-7-5-4-6-8-14/h4-8,15,22H,9-13,19H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate?
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate has a molecular weight of 320.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate is sourced from PubChem (CID 69414976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).