tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate

C17H26N2O3 — CID 122444870

IUPACtert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19(12-13-7-5-4-6-8-13)14-9-10-18-11-15(14)20/h4-8,14-15,18,20H,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeySUTBPYRUZHLSPW-HUUCEWRRSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate

tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate (PubChem CID 122444870) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate
PubChem CID122444870
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19(12-13-7-5-4-6-8-13)14-9-10-18-11-15(14)20/h4-8,14-15,18,20H,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeySUTBPYRUZHLSPW-HUUCEWRRSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate (CID 122444870) is tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CCNC[C@H]1O.
What is the InChIKey of tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate?
The InChIKey is SUTBPYRUZHLSPW-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19(12-13-7-5-4-6-8-13)14-9-10-18-11-15(14)20/h4-8,14-15,18,20H,9-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate?
tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]carbamate is sourced from PubChem (CID 122444870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).