N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride

C8H15ClN2O — CID 79001544

IUPACN-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride
SMILESCN1CCC(N(C)C(=O)Cl)CC1
InChIInChI=1S/C8H15ClN2O/c1-10-5-3-7(4-6-10)11(2)8(9)12/h7H,3-6H2,1-2H3
InChIKeyGXQHXUNAJJETEK-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.37
Rot. Bonds1

About N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride

N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride (PubChem CID 79001544) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride
PubChem CID79001544
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride
SMILESCN1CCC(N(C)C(=O)Cl)CC1
InChIInChI=1S/C8H15ClN2O/c1-10-5-3-7(4-6-10)11(2)8(9)12/h7H,3-6H2,1-2H3
InChIKeyGXQHXUNAJJETEK-UHFFFAOYSA-N
XLogP1.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride (CID 79001544) is N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride is CN1CCC(N(C)C(=O)Cl)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride?
The InChIKey is GXQHXUNAJJETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-10-5-3-7(4-6-10)11(2)8(9)12/h7H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride?
N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride has a molecular weight of 190.67 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride is sourced from PubChem (CID 79001544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).