hydron;1-methylpiperidine-2-carboxylic acid;chloride

C7H14ClNO2 — CID 44558462

IUPAChydron;1-methylpiperidine-2-carboxylic acid;chloride
SMILESCN1CCCCC1C(=O)O.[Cl-].[H+]
InChIInChI=1S/C7H13NO2.ClH/c1-8-5-3-2-4-6(8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyHENMKHNMVUDRMJ-UHFFFAOYSA-N
MW179.65 g/mol
LogP-2.33
Rot. Bonds1

About hydron;1-methylpiperidine-2-carboxylic acid;chloride

hydron;1-methylpiperidine-2-carboxylic acid;chloride (PubChem CID 44558462) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is hydron;1-methylpiperidine-2-carboxylic acid;chloride.

Molecular Properties

Compound Namehydron;1-methylpiperidine-2-carboxylic acid;chloride
PubChem CID44558462
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namehydron;1-methylpiperidine-2-carboxylic acid;chloride
SMILESCN1CCCCC1C(=O)O.[Cl-].[H+]
InChIInChI=1S/C7H13NO2.ClH/c1-8-5-3-2-4-6(8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyHENMKHNMVUDRMJ-UHFFFAOYSA-N
XLogP-2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
CID 160589871
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
1-methylazepane-2-carbonyl chloride
CID 88548044
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
CID 165072023
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
CID 43441253
(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
CID 145087679
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157

Frequently Asked Questions

What is the IUPAC name of hydron;1-methylpiperidine-2-carboxylic acid;chloride?
The IUPAC name of hydron;1-methylpiperidine-2-carboxylic acid;chloride (CID 44558462) is hydron;1-methylpiperidine-2-carboxylic acid;chloride.
What is the SMILES notation for hydron;1-methylpiperidine-2-carboxylic acid;chloride?
The canonical SMILES for hydron;1-methylpiperidine-2-carboxylic acid;chloride is CN1CCCCC1C(=O)O.[Cl-].[H+].
What is the InChIKey of hydron;1-methylpiperidine-2-carboxylic acid;chloride?
The InChIKey is HENMKHNMVUDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8-5-3-2-4-6(8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of hydron;1-methylpiperidine-2-carboxylic acid;chloride?
hydron;1-methylpiperidine-2-carboxylic acid;chloride has a molecular weight of 179.65 g/mol, XLogP of -2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-methylpiperidine-2-carboxylic acid;chloride is sourced from PubChem (CID 44558462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).