(1,4-dimethylpiperidin-4-yl) hydrogen carbonate

C8H15NO3 — CID 67604839

IUPAC(1,4-dimethylpiperidin-4-yl) hydrogen carbonate
SMILESCN1CCC(C)(OC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-8(12-7(10)11)3-5-9(2)6-4-8/h3-6H2,1-2H3,(H,10,11)
InChIKeyMWESJYJILZMQJM-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.17
Rot. Bonds1

About (1,4-dimethylpiperidin-4-yl) hydrogen carbonate

(1,4-dimethylpiperidin-4-yl) hydrogen carbonate (PubChem CID 67604839) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (1,4-dimethylpiperidin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1,4-dimethylpiperidin-4-yl) hydrogen carbonate
PubChem CID67604839
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(1,4-dimethylpiperidin-4-yl) hydrogen carbonate
SMILESCN1CCC(C)(OC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-8(12-7(10)11)3-5-9(2)6-4-8/h3-6H2,1-2H3,(H,10,11)
InChIKeyMWESJYJILZMQJM-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperidin-4-yl) hydrogen carbonate?
The IUPAC name of (1,4-dimethylpiperidin-4-yl) hydrogen carbonate (CID 67604839) is (1,4-dimethylpiperidin-4-yl) hydrogen carbonate.
What is the SMILES notation for (1,4-dimethylpiperidin-4-yl) hydrogen carbonate?
The canonical SMILES for (1,4-dimethylpiperidin-4-yl) hydrogen carbonate is CN1CCC(C)(OC(=O)O)CC1.
What is the InChIKey of (1,4-dimethylpiperidin-4-yl) hydrogen carbonate?
The InChIKey is MWESJYJILZMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(12-7(10)11)3-5-9(2)6-4-8/h3-6H2,1-2H3,(H,10,11).
What are the key properties of (1,4-dimethylpiperidin-4-yl) hydrogen carbonate?
(1,4-dimethylpiperidin-4-yl) hydrogen carbonate has a molecular weight of 173.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperidin-4-yl) hydrogen carbonate is sourced from PubChem (CID 67604839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).