ethyl 7-morpholin-4-ylheptanoate;hydrochloride

C13H26ClNO3 — CID 71385589

IUPACethyl 7-morpholin-4-ylheptanoate;hydrochloride
SMILESCCOC(=O)CCCCCCN1CCOCC1.Cl
InChIInChI=1S/C13H25NO3.ClH/c1-2-17-13(15)7-5-3-4-6-8-14-9-11-16-12-10-14;/h2-12H2,1H3;1H
InChIKeyWFGOLCRINVDGIQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.25
Rot. Bonds8

About ethyl 7-morpholin-4-ylheptanoate;hydrochloride

ethyl 7-morpholin-4-ylheptanoate;hydrochloride (PubChem CID 71385589) has the molecular formula C13H26ClNO3 and a molecular weight of 279.81 g/mol. Its IUPAC name is ethyl 7-morpholin-4-ylheptanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 7-morpholin-4-ylheptanoate;hydrochloride
PubChem CID71385589
Molecular FormulaC13H26ClNO3
Molecular Weight279.81 g/mol
Exact Mass279.16
IUPAC Nameethyl 7-morpholin-4-ylheptanoate;hydrochloride
SMILESCCOC(=O)CCCCCCN1CCOCC1.Cl
InChIInChI=1S/C13H25NO3.ClH/c1-2-17-13(15)7-5-3-4-6-8-14-9-11-16-12-10-14;/h2-12H2,1H3;1H
InChIKeyWFGOLCRINVDGIQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-morpholin-4-ylheptanoate
CID 56691255
2-morpholin-4-ylethyl octanoate
CID 23118480
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
morpholin-4-ylmethyl hexadecanoate
CID 86303252
ethyl 5-(1,3,5-dioxazinan-5-yl)pentanoate
CID 11820653
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
[2-(5-morpholin-4-ylpentanoyloxymethyl)-3-[(Z)-tetradec-9-enoyl]oxy-2-[[(Z)-tetradec-9-enoyl]oxymethyl]propyl] (Z)-tetradec-9-enoate
CID 172948371
diethyl icosanedioate
CID 5058538
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752

Frequently Asked Questions

What is the IUPAC name of ethyl 7-morpholin-4-ylheptanoate;hydrochloride?
The IUPAC name of ethyl 7-morpholin-4-ylheptanoate;hydrochloride (CID 71385589) is ethyl 7-morpholin-4-ylheptanoate;hydrochloride.
What is the SMILES notation for ethyl 7-morpholin-4-ylheptanoate;hydrochloride?
The canonical SMILES for ethyl 7-morpholin-4-ylheptanoate;hydrochloride is CCOC(=O)CCCCCCN1CCOCC1.Cl.
What is the InChIKey of ethyl 7-morpholin-4-ylheptanoate;hydrochloride?
The InChIKey is WFGOLCRINVDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.ClH/c1-2-17-13(15)7-5-3-4-6-8-14-9-11-16-12-10-14;/h2-12H2,1H3;1H.
What are the key properties of ethyl 7-morpholin-4-ylheptanoate;hydrochloride?
ethyl 7-morpholin-4-ylheptanoate;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-morpholin-4-ylheptanoate;hydrochloride is sourced from PubChem (CID 71385589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).