4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium

C16H26N2O2+2 — CID 6935973

IUPAC4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
SMILESc1cc(C[NH+]2CCOCC2)ccc1C[NH+]1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-2-16(14-18-7-11-20-12-8-18)4-3-15(1)13-17-5-9-19-10-6-17/h1-4H,5-14H2/p+2
InChIKeyRSMNWFIMPCRLHR-UHFFFAOYSA-P
MW278.40 g/mol
LogP-1.48
Rot. Bonds4

About 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium

4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium (PubChem CID 6935973) has the molecular formula C16H26N2O2+2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
PubChem CID6935973
Molecular FormulaC16H26N2O2+2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
SMILESc1cc(C[NH+]2CCOCC2)ccc1C[NH+]1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-2-16(14-18-7-11-20-12-8-18)4-3-15(1)13-17-5-9-19-10-6-17/h1-4H,5-14H2/p+2
InChIKeyRSMNWFIMPCRLHR-UHFFFAOYSA-P
XLogP-1.48
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
CID 7064770
N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7457311
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
CID 6942878
(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone
CID 7368546
1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 6981095
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium?
The IUPAC name of 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium (CID 6935973) is 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium is c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1CCOCC1.
What is the InChIKey of 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium?
The InChIKey is RSMNWFIMPCRLHR-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H24N2O2/c1-2-16(14-18-7-11-20-12-8-18)4-3-15(1)13-17-5-9-19-10-6-17/h1-4H,5-14H2/p+2.
What are the key properties of 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium?
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium has a molecular weight of 278.40 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium is sourced from PubChem (CID 6935973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).