(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium

C11H24N2O+2 — CID 7047314

IUPAC(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESC[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1
InChIInChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3/p+2/t11-/m1/s1
InChIKeyZDXPPVJOETXBJZ-LLVKDONJSA-P
MW200.33 g/mol
LogP-1.59
Rot. Bonds3

About (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium

(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 7047314) has the molecular formula C11H24N2O+2 and a molecular weight of 200.33 g/mol. Its IUPAC name is (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID7047314
Molecular FormulaC11H24N2O+2
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESC[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1
InChIInChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3/p+2/t11-/m1/s1
InChIKeyZDXPPVJOETXBJZ-LLVKDONJSA-P
XLogP-1.59
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
1-(Tetrahydro-2-furylmethyl)piperazine
CID 2737265
N-(oxolan-2-ylmethyl)butan-1-amine
CID 263177
1-[(Oxolan-2-yl)methyl]piperidin-4-amine
CID 16774673
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
N1,N1-Dimethyl-N2-((tetrahydrofuran-2-yl)methyl)ethane-1,2-diamine
CID 18524092
1-(hexahydro-1H-pyrrolo(2,1-c)(1,4)oxazin-3-yl)methanamine
CID 47002529
1-(Oxolan-3-yl)piperidin-4-amine
CID 63333556
Propyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3144565
N-[(oxolan-2-yl)methyl]cyclohexanamine
CID 263190
rac-1-((1R,2R)-2-methoxycyclopentyl)piperazine dihydrochloride
CID 137966028
1-((3S,8aR)-hexahydro-1H-pyrrolo(2,1-c)(1,4)oxazin-3-yl)methanamine dihydrochloride
CID 165948859

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium (CID 7047314) is (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium is C[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1.
What is the InChIKey of (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is ZDXPPVJOETXBJZ-LLVKDONJSA-P. The full InChI is InChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3/p+2/t11-/m1/s1.
What are the key properties of (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium?
(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 200.33 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7047314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).