2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride

C14H26ClNO4 — CID 3053871

IUPAC2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride
SMILESCl.O=C(CC1(O)CCCCC1)OCCN1CCOCC1
InChIInChI=1S/C14H25NO4.ClH/c16-13(12-14(17)4-2-1-3-5-14)19-11-8-15-6-9-18-10-7-15;/h17H,1-12H2;1H
InChIKeyRCMILKHNEOZISR-UHFFFAOYSA-N
MW307.82 g/mol
LogP1.37
Rot. Bonds5

About 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride

2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride (PubChem CID 3053871) has the molecular formula C14H26ClNO4 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride
PubChem CID3053871
Molecular FormulaC14H26ClNO4
Molecular Weight307.82 g/mol
Exact Mass307.16
IUPAC Name2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride
SMILESCl.O=C(CC1(O)CCCCC1)OCCN1CCOCC1
InChIInChI=1S/C14H25NO4.ClH/c16-13(12-14(17)4-2-1-3-5-14)19-11-8-15-6-9-18-10-7-15;/h17H,1-12H2;1H
InChIKeyRCMILKHNEOZISR-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride (CID 3053871) is 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride is Cl.O=C(CC1(O)CCCCC1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride?
The InChIKey is RCMILKHNEOZISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4.ClH/c16-13(12-14(17)4-2-1-3-5-14)19-11-8-15-6-9-18-10-7-15;/h17H,1-12H2;1H.
What are the key properties of 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride?
2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride is sourced from PubChem (CID 3053871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).