N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide

C10H21N2O2+ — CID 7172191

IUPACN-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide
SMILESCC(C)(CO)NC(=O)C1CC[NH2+]CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,7-13)12-9(14)8-3-5-11-6-4-8/h8,11,13H,3-7H2,1-2H3,(H,12,14)/p+1
InChIKeyKUWUJCGSZLLBQK-UHFFFAOYSA-O
MW201.29 g/mol
LogP-1.15
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide (PubChem CID 7172191) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide
PubChem CID7172191
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide
SMILESCC(C)(CO)NC(=O)C1CC[NH2+]CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,7-13)12-9(14)8-3-5-11-6-4-8/h8,11,13H,3-7H2,1-2H3,(H,12,14)/p+1
InChIKeyKUWUJCGSZLLBQK-UHFFFAOYSA-O
XLogP-1.15
TPSA65.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 44890741
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
N-(1-methoxy-2-methylpropan-2-yl)cyclopropanecarboxamide
CID 115606636
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dithiolane-2-carboxamide
CID 131041969
N-(2-methyl-1-methylsulfanylpropan-2-yl)cyclopropanecarboxamide
CID 167004925
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7303409
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 7172187
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 166072076
N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308166

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide (CID 7172191) is N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide is CC(C)(CO)NC(=O)C1CC[NH2+]CC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide?
The InChIKey is KUWUJCGSZLLBQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,7-13)12-9(14)8-3-5-11-6-4-8/h8,11,13H,3-7H2,1-2H3,(H,12,14)/p+1.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide has a molecular weight of 201.29 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7172191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).