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

C8H16Cl2N2O — CID 91647713

IUPACN-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride
SMILESCN1CCC(N(C)C(=O)Cl)CC1.Cl
InChIInChI=1S/C8H15ClN2O.ClH/c1-10-5-3-7(4-6-10)11(2)8(9)12;/h7H,3-6H2,1-2H3;1H
InChIKeyGPTKRGKZLIKJRM-UHFFFAOYSA-N
MW227.13 g/mol
LogP1.79
Rot. Bonds1

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

N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride (PubChem CID 91647713) has the molecular formula C8H16Cl2N2O and a molecular weight of 227.13 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride
PubChem CID91647713
Molecular FormulaC8H16Cl2N2O
Molecular Weight227.13 g/mol
Exact Mass226.06
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride
SMILESCN1CCC(N(C)C(=O)Cl)CC1.Cl
InChIInChI=1S/C8H15ClN2O.ClH/c1-10-5-3-7(4-6-10)11(2)8(9)12;/h7H,3-6H2,1-2H3;1H
InChIKeyGPTKRGKZLIKJRM-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 51.79
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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Related Compounds

4-Piperidinopiperidine-1-carbonyl chloride
CID 9813375
2,6-Dimethylpiperidine-1-carbonyl chloride
CID 19070661
2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
rac-(2R,6S)-2,6-dimethylpiperidine-1-carbonyl chloride
CID 94968704
1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride
CID 11637553
4-[Ethyl(methyl)amino]piperidine-1-carbonyl fluoride
CID 155739276
4-(Dipropylamino)piperidine-1-carbonyl chloride
CID 15700341
4-(Dibutylamino)piperidine-1-carbonyl chloride
CID 15700342
4-Pyrrolidinopiperidinocarbonyl chloride
CID 15700343
4-(Diethylamino)piperidine-1-carbonyl chloride
CID 15700362
N-piperidin-1-yl-N-propan-2-ylcarbamoyl chloride
CID 17777671
2-Methylpiperidine-1-carbonyl chloride
CID 17952004

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride (CID 91647713) is N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride is CN1CCC(N(C)C(=O)Cl)CC1.Cl.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride?
The InChIKey is GPTKRGKZLIKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O.ClH/c1-10-5-3-7(4-6-10)11(2)8(9)12;/h7H,3-6H2,1-2H3;1H.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride?
N-methyl-N-(1-methylpiperidin-4-yl)carbamoyl chloride;hydrochloride has a molecular weight of 227.13 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 91647713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).