[(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium

C11H23N2O2+ — CID 163267699

IUPAC[(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium
SMILES[OH2+]C[C@H]1COCCN1CC1CCNCC1
InChIInChI=1S/C11H22N2O2/c14-8-11-9-15-6-5-13(11)7-10-1-3-12-4-2-10/h10-12,14H,1-9H2/p+1/t11-/m0/s1
InChIKeyZLCQOVAHWMCSOC-NSHDSACASA-O
MW215.32 g/mol
LogP-0.59
Rot. Bonds3

About [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium

[(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium (PubChem CID 163267699) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium.

Molecular Properties

Compound Name[(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium
PubChem CID163267699
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name[(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium
SMILES[OH2+]C[C@H]1COCCN1CC1CCNCC1
InChIInChI=1S/C11H22N2O2/c14-8-11-9-15-6-5-13(11)7-10-1-3-12-4-2-10/h10-12,14H,1-9H2/p+1/t11-/m0/s1
InChIKeyZLCQOVAHWMCSOC-NSHDSACASA-O
XLogP-0.59
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium?
The IUPAC name of [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium (CID 163267699) is [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium.
What is the SMILES notation for [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium?
The canonical SMILES for [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium is [OH2+]C[C@H]1COCCN1CC1CCNCC1.
What is the InChIKey of [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium?
The InChIKey is ZLCQOVAHWMCSOC-NSHDSACASA-O. The full InChI is InChI=1S/C11H22N2O2/c14-8-11-9-15-6-5-13(11)7-10-1-3-12-4-2-10/h10-12,14H,1-9H2/p+1/t11-/m0/s1.
What are the key properties of [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium?
[(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium has a molecular weight of 215.32 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(piperidin-4-ylmethyl)morpholin-3-yl]methyloxidanium is sourced from PubChem (CID 163267699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).