tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate

C14H28N2O3 — CID 176922632

IUPACtert-butyl N-(2-piperidin-4-yloxybutyl)carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)OC1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-5-11(18-12-6-8-15-9-7-12)10-16-13(17)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyGDMAIOHQASOORD-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds5

About tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate

tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate (PubChem CID 176922632) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-piperidin-4-yloxybutyl)carbamate
PubChem CID176922632
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-(2-piperidin-4-yloxybutyl)carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)OC1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-5-11(18-12-6-8-15-9-7-12)10-16-13(17)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyGDMAIOHQASOORD-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
CID 23245298
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
CID 107250997
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
CID 107251793
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
CID 115052275
tert-butyl N-[[4-(pyrrolidin-3-ylmethyl)phenyl]methyl]carbamate
CID 138463428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate?
The IUPAC name of tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate (CID 176922632) is tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate is CCC(CNC(=O)OC(C)(C)C)OC1CCNCC1.
What is the InChIKey of tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate?
The InChIKey is GDMAIOHQASOORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-11(18-12-6-8-15-9-7-12)10-16-13(17)19-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate?
tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate is sourced from PubChem (CID 176922632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).