[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid

C12H24N2O3 — CID 175491966

IUPAC[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(C(C)(C)C)C1(O)CCNCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)9(14(4)10(15)16)12(17)5-7-13-8-6-12/h9,13,17H,5-8H2,1-4H3,(H,15,16)
InChIKeyNZKOORYHKHFMKD-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds2

About [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid

[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid (PubChem CID 175491966) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid
PubChem CID175491966
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(C(C)(C)C)C1(O)CCNCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)9(14(4)10(15)16)12(17)5-7-13-8-6-12/h9,13,17H,5-8H2,1-4H3,(H,15,16)
InChIKeyNZKOORYHKHFMKD-UHFFFAOYSA-N
XLogP1.13
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 68600448
tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate
CID 69414376
methyl 2-(4-hydroxypiperidin-4-yl)butanoate
CID 62395277
4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
CID 84772593
4-propan-2-yloxyazepane-4-carboxylic acid
CID 84670130
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 114042027
4-(dimethylamino)piperidine-4-carboxamide;hydrochloride
CID 54603091
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
2-bromopropanoic acid;piperazine
CID 54600090

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid?
The IUPAC name of [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid (CID 175491966) is [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid.
What is the SMILES notation for [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid?
The canonical SMILES for [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid is CN(C(=O)O)C(C(C)(C)C)C1(O)CCNCC1.
What is the InChIKey of [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid?
The InChIKey is NZKOORYHKHFMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)9(14(4)10(15)16)12(17)5-7-13-8-6-12/h9,13,17H,5-8H2,1-4H3,(H,15,16).
What are the key properties of [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid?
[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid has a molecular weight of 244.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid is sourced from PubChem (CID 175491966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).