tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate

C17H32N2O4 — CID 176905742

IUPACtert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CCOCC2)CC1CCO
InChIInChI=1S/C17H32N2O4/c1-17(2,3)23-16(21)19-8-4-14(12-15(19)5-9-20)18-13-6-10-22-11-7-13/h13-15,18,20H,4-12H2,1-3H3
InChIKeyPAOVYHDQKAKZOS-UHFFFAOYSA-N
MW328.45 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate

tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate (PubChem CID 176905742) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate
PubChem CID176905742
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CCOCC2)CC1CCO
InChIInChI=1S/C17H32N2O4/c1-17(2,3)23-16(21)19-8-4-14(12-15(19)5-9-20)18-13-6-10-22-11-7-13/h13-15,18,20H,4-12H2,1-3H3
InChIKeyPAOVYHDQKAKZOS-UHFFFAOYSA-N
XLogP1.91
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate;2-[(2S)-piperidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 160536655
tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate
CID 67269811
Tert-butyl 5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate
CID 67269813
tert-Butyl cis-5-amino-2-[(4-hydroxytetrahydro-2H-pyran-4-yl)methyl]piperidine-1-carboxylate
CID 67269815
tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate
CID 91066901
Tert-butyl 4-aminopiperidine-1-carboxylate;methanol;oxane
CID 144202042
Tert-butyl 2-(methylaminomethyl)piperidine-1-carboxylate;7-(methylamino)heptan-1-ol
CID 153328822
tert-butyl N-[1-(8-hydroxyoctyl)piperidin-4-yl]carbamate
CID 156865859
(2S,4S)-tert-Butyl 4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
Tert-butyl 2-(3-hydroxypropyl)piperidine-1-carboxylate;3-piperidin-2-ylpropan-1-ol
CID 158014908
Tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;piperidin-2-ylmethanol
CID 158839226
Tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol
CID 160536656

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate (CID 176905742) is tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2CCOCC2)CC1CCO.
What is the InChIKey of tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate?
The InChIKey is PAOVYHDQKAKZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-17(2,3)23-16(21)19-8-4-14(12-15(19)5-9-20)18-13-6-10-22-11-7-13/h13-15,18,20H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate?
tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate has a molecular weight of 328.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethyl)-4-(oxan-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 176905742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).