tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate

C17H26N2O3 — CID 46785878

IUPACtert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)18-14-7-5-9-19(12-14)11-13-6-4-8-15(20)10-13/h4,6,8,10,14,20H,5,7,9,11-12H2,1-3H3,(H,18,21)
InChIKeyPCXISWPOAGRSOJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate (PubChem CID 46785878) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate
PubChem CID46785878
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)18-14-7-5-9-19(12-14)11-13-6-4-8-15(20)10-13/h4,6,8,10,14,20H,5,7,9,11-12H2,1-3H3,(H,18,21)
InChIKeyPCXISWPOAGRSOJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate (CID 46785878) is tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate?
The InChIKey is PCXISWPOAGRSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)18-14-7-5-9-19(12-14)11-13-6-4-8-15(20)10-13/h4,6,8,10,14,20H,5,7,9,11-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 46785878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).