tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane

C12H26N2O3 — CID 144612195

IUPACtert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NN1CCC(O)CC1
InChIInChI=1S/C10H20N2O3.C2H6/c1-10(2,3)15-9(14)11-12-6-4-8(13)5-7-12;1-2/h8,13H,4-7H2,1-3H3,(H,11,14);1-2H3
InChIKeyKFNZMFMJCCOLSW-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane

tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane (PubChem CID 144612195) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
PubChem CID144612195
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NN1CCC(O)CC1
InChIInChI=1S/C10H20N2O3.C2H6/c1-10(2,3)15-9(14)11-12-6-4-8(13)5-7-12;1-2/h8,13H,4-7H2,1-3H3,(H,11,14);1-2H3
InChIKeyKFNZMFMJCCOLSW-UHFFFAOYSA-N
XLogP1.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 124908075
tert-butyl N-(4-methoxypiperazin-1-yl)carbamate
CID 59857801
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031273
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031410
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]pyrazol-4-yl]oxyboronic acid
CID 131744195
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
CID 122652546
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane (CID 144612195) is tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane is CC.CC(C)(C)OC(=O)NN1CCC(O)CC1.
What is the InChIKey of tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane?
The InChIKey is KFNZMFMJCCOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C2H6/c1-10(2,3)15-9(14)11-12-6-4-8(13)5-7-12;1-2/h8,13H,4-7H2,1-3H3,(H,11,14);1-2H3.
What are the key properties of tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane?
tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane has a molecular weight of 246.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane is sourced from PubChem (CID 144612195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).