4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride

C17H26Cl2N2O3-2 — CID 21228856

IUPAC4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride
SMILES[Cl-].[Cl-].c1ccc(OC(CN2CCOCC2)CN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3.2ClH/c1-2-4-16(5-3-1)22-17(14-18-6-10-20-11-7-18)15-19-8-12-21-13-9-19;;/h1-5,17H,6-15H2;2*1H/p-2
InChIKeyVVHJEFKWIVKNMU-UHFFFAOYSA-L
MW377.31 g/mol
LogP-4.89
Rot. Bonds6

About 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride

4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride (PubChem CID 21228856) has the molecular formula C17H26Cl2N2O3-2 and a molecular weight of 377.31 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride
PubChem CID21228856
Molecular FormulaC17H26Cl2N2O3-2
Molecular Weight377.31 g/mol
Exact Mass376.13
IUPAC Name4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride
SMILES[Cl-].[Cl-].c1ccc(OC(CN2CCOCC2)CN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3.2ClH/c1-2-4-16(5-3-1)22-17(14-18-6-10-20-11-7-18)15-19-8-12-21-13-9-19;;/h1-5,17H,6-15H2;2*1H/p-2
InChIKeyVVHJEFKWIVKNMU-UHFFFAOYSA-L
XLogP-4.89
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 5-4.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate
CID 14592484
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
2-benzoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040781
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenoxypropanamide
CID 90607349
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride?
The IUPAC name of 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride (CID 21228856) is 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride.
What is the SMILES notation for 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride?
The canonical SMILES for 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride is [Cl-].[Cl-].c1ccc(OC(CN2CCOCC2)CN2CCOCC2)cc1.
What is the InChIKey of 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride?
The InChIKey is VVHJEFKWIVKNMU-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H26N2O3.2ClH/c1-2-4-16(5-3-1)22-17(14-18-6-10-20-11-7-18)15-19-8-12-21-13-9-19;;/h1-5,17H,6-15H2;2*1H/p-2.
What are the key properties of 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride?
4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride has a molecular weight of 377.31 g/mol, XLogP of -4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride is sourced from PubChem (CID 21228856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).