tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate

C18H36N2O3 — CID 156865859

IUPACtert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCCCCCCCO)CC1
InChIInChI=1S/C18H36N2O3/c1-18(2,3)23-17(22)19-16-10-13-20(14-11-16)12-8-6-4-5-7-9-15-21/h16,21H,4-15H2,1-3H3,(H,19,22)
InChIKeyBHSSINPQJZLRIR-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.31
Rot. Bonds9

About tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate (PubChem CID 156865859) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate
PubChem CID156865859
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCCCCCCCO)CC1
InChIInChI=1S/C18H36N2O3/c1-18(2,3)23-17(22)19-16-10-13-20(14-11-16)12-8-6-4-5-7-9-15-21/h16,21H,4-15H2,1-3H3,(H,19,22)
InChIKeyBHSSINPQJZLRIR-UHFFFAOYSA-N
XLogP3.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate (CID 156865859) is tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCCCCCCCO)CC1.
What is the InChIKey of tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate?
The InChIKey is BHSSINPQJZLRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-18(2,3)23-17(22)19-16-10-13-20(14-11-16)12-8-6-4-5-7-9-15-21/h16,21H,4-15H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 156865859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).