tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate

C18H35N3O3 — CID 66841885

IUPACtert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
SMILESCC(CN1CCC(NC(=O)OC(C)(C)C)CC1)N1CCC(O)CC1
InChIInChI=1S/C18H35N3O3/c1-14(21-11-7-16(22)8-12-21)13-20-9-5-15(6-10-20)19-17(23)24-18(2,3)4/h14-16,22H,5-13H2,1-4H3,(H,19,23)
InChIKeyAGSNCCGQMCOCQJ-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate (PubChem CID 66841885) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
PubChem CID66841885
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
SMILESCC(CN1CCC(NC(=O)OC(C)(C)C)CC1)N1CCC(O)CC1
InChIInChI=1S/C18H35N3O3/c1-14(21-11-7-16(22)8-12-21)13-20-9-5-15(6-10-20)19-17(23)24-18(2,3)4/h14-16,22H,5-13H2,1-4H3,(H,19,23)
InChIKeyAGSNCCGQMCOCQJ-UHFFFAOYSA-N
XLogP1.82
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate (CID 66841885) is tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate is CC(CN1CCC(NC(=O)OC(C)(C)C)CC1)N1CCC(O)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?
The InChIKey is AGSNCCGQMCOCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-14(21-11-7-16(22)8-12-21)13-20-9-5-15(6-10-20)19-17(23)24-18(2,3)4/h14-16,22H,5-13H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate has a molecular weight of 341.50 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66841885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).