tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid

C10H20N2O3 — CID 67307566

IUPACtert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCNCC1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)12(9(14)15)7-4-5-11-6-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyBLPVACNPSLQNRP-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.49
Rot. Bonds1

About tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid

tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid (PubChem CID 67307566) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
PubChem CID67307566
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCNCC1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)12(9(14)15)7-4-5-11-6-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyBLPVACNPSLQNRP-UHFFFAOYSA-N
XLogP0.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid
CID 57486906
tert-butyl-(4-methylpiperidin-3-yl)carbamic acid
CID 67241407
tert-butyl-[(3R,4R)-4-methoxypiperidin-3-yl]carbamic acid
CID 67045457
tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
CID 69297604
tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
CID 146156377
tert-butyl-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamic acid
CID 45091996
tert-butyl-[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 67035009
(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride
CID 156592163
tert-butyl-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014333
tert-butyl-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamic acid
CID 45092306
tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
CID 160959788
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid?
The IUPAC name of tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid (CID 67307566) is tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid?
The canonical SMILES for tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCNCC1O.
What is the InChIKey of tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid?
The InChIKey is BLPVACNPSLQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)12(9(14)15)7-4-5-11-6-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid?
tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid has a molecular weight of 216.28 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid is sourced from PubChem (CID 67307566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).