2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium

C11H26N2O+2 — CID 2058061

IUPAC2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium
SMILESCCC[NH+]1CCC([NH2+]CCOC)CC1
InChIInChI=1S/C11H24N2O/c1-3-7-13-8-4-11(5-9-13)12-6-10-14-2/h11-12H,3-10H2,1-2H3/p+2
InChIKeyGYSWSUSFBVSQBT-UHFFFAOYSA-P
MW202.34 g/mol
LogP-1.35
Rot. Bonds6

About 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium

2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium (PubChem CID 2058061) has the molecular formula C11H26N2O+2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium
PubChem CID2058061
Molecular FormulaC11H26N2O+2
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium
SMILESCCC[NH+]1CCC([NH2+]CCOC)CC1
InChIInChI=1S/C11H24N2O/c1-3-7-13-8-4-11(5-9-13)12-6-10-14-2/h11-12H,3-10H2,1-2H3/p+2
InChIKeyGYSWSUSFBVSQBT-UHFFFAOYSA-P
XLogP-1.35
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Morpholinopiperidine
CID 795724
1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
2-[(1-Methylpiperidin-4-yl)amino]ethan-1-ol
CID 3154447
1-(3-Methoxypropyl)-4-piperidinamine
CID 12088093
Hexyl[2-(morpholin-4-yl)ethyl]amine
CID 21278415
Dimethyl(2-(piperidin-4-yloxy)ethyl)amine
CID 43167826
4-(Morpholin-4-yl)azepane
CID 56924585
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
4-(Piperidin-4-yl)-1,4-oxazepane
CID 62989033
N-[2-(morpholin-4-yl)ethyl]cyclopentanamine
CID 12077343
Butyl-(3-morpholin-4-yl-propyl)-amine
CID 3151943

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium (CID 2058061) is 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium is CCC[NH+]1CCC([NH2+]CCOC)CC1.
What is the InChIKey of 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium?
The InChIKey is GYSWSUSFBVSQBT-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H24N2O/c1-3-7-13-8-4-11(5-9-13)12-6-10-14-2/h11-12H,3-10H2,1-2H3/p+2.
What are the key properties of 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium?
2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium has a molecular weight of 202.34 g/mol, XLogP of -1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-(1-propylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 2058061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).