4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium

C11H20NO+ — CID 18555426

IUPAC4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
SMILESC1C[NH+]([C@H]2C[C@H]3CC[C@H]2C3)CCO1
InChIInChI=1S/C11H19NO/c1-2-10-7-9(1)8-11(10)12-3-5-13-6-4-12/h9-11H,1-8H2/p+1/t9-,10-,11-/m0/s1
InChIKeyLDVODLJMMNMQAV-DCAQKATOSA-O
MW182.29 g/mol
LogP0.09
Rot. Bonds1

About 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium

4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium (PubChem CID 18555426) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
PubChem CID18555426
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
SMILESC1C[NH+]([C@H]2C[C@H]3CC[C@H]2C3)CCO1
InChIInChI=1S/C11H19NO/c1-2-10-7-9(1)8-11(10)12-3-5-13-6-4-12/h9-11H,1-8H2/p+1/t9-,10-,11-/m0/s1
InChIKeyLDVODLJMMNMQAV-DCAQKATOSA-O
XLogP0.09
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium 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

4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
CID 6952467
4-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-4-ium-1-carbaldehyde
CID 11865383
(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium
CID 7012471
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazin-1-ium
CID 7325610
1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 11877898
1-(benzenesulfonyl)-4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-4-ium
CID 11878969
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(4-bromophenyl)methyl]piperazine-1,4-diium
CID 2251504
[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 11861970
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 11905594
(1S,2S,4R)-N-(2-morpholin-4-ium-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11874328
4-[(3R)-thiolan-3-yl]morpholin-4-ium
CID 6952466
4-[(1R,3R)-3-methylcyclopentyl]morpholin-4-ium
CID 7448485

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
The IUPAC name of 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium (CID 18555426) is 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium.
What is the SMILES notation for 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
The canonical SMILES for 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium is C1C[NH+]([C@H]2C[C@H]3CC[C@H]2C3)CCO1.
What is the InChIKey of 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
The InChIKey is LDVODLJMMNMQAV-DCAQKATOSA-O. The full InChI is InChI=1S/C11H19NO/c1-2-10-7-9(1)8-11(10)12-3-5-13-6-4-12/h9-11H,1-8H2/p+1/t9-,10-,11-/m0/s1.
What are the key properties of 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium?
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium has a molecular weight of 182.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium is sourced from PubChem (CID 18555426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).