[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).