[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride

C8H18Cl2N2O2 — CID 10752863

IUPAC[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC1(CC(=O)O)CC[NH2+]CC1
InChIInChI=1S/C8H16N2O2.2ClH/c9-6-8(5-7(11)12)1-3-10-4-2-8;;/h10H,1-6,9H2,(H,11,12);2*1H
InChIKeyWAXDJAXTADVBCK-UHFFFAOYSA-N
MW245.15 g/mol
LogP-7.95
Rot. Bonds3

About [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride

[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride (PubChem CID 10752863) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride.

Molecular Properties

Compound Name[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride
PubChem CID10752863
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Name[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC1(CC(=O)O)CC[NH2+]CC1
InChIInChI=1S/C8H16N2O2.2ClH/c9-6-8(5-7(11)12)1-3-10-4-2-8;;/h10H,1-6,9H2,(H,11,12);2*1H
InChIKeyWAXDJAXTADVBCK-UHFFFAOYSA-N
XLogP-7.95
TPSA81.55 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-7.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride with MolForge

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

Launch Full Analysis

Related Compounds

[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
CID 10776156
[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium
CID 23238895
2-[1-(chloromethyl)cyclopropyl]acetic acid
CID 55302932
2-[1-(azaniumylmethyl)cyclohexyl]acetate;heptahydrate
CID 139197548
2-[1-(azaniumylmethyl)cyclohexyl]acetate;hydrate
CID 139058202
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride
CID 3019512
[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
CID 10656622
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710
2-[4-(2-amino-2-oxoethyl)piperidin-4-yl]acetic acid
CID 70955898
carbanide;[1-(carboxymethyl)cyclohexyl]methylazanide;tungsten(2+)
CID 145459251

Frequently Asked Questions

What is the IUPAC name of [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride?
The IUPAC name of [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride (CID 10752863) is [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride.
What is the SMILES notation for [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride?
The canonical SMILES for [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride is [Cl-].[Cl-].[NH3+]CC1(CC(=O)O)CC[NH2+]CC1.
What is the InChIKey of [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride?
The InChIKey is WAXDJAXTADVBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.2ClH/c9-6-8(5-7(11)12)1-3-10-4-2-8;;/h10H,1-6,9H2,(H,11,12);2*1H.
What are the key properties of [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride?
[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride has a molecular weight of 245.15 g/mol, XLogP of -7.95, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride is sourced from PubChem (CID 10752863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).