cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate

C14H25NO3 — CID 99785632

IUPACcis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-2-18-14(16)13-5-3-4-12(10-13)11-15-6-8-17-9-7-15/h12-13H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyVNKKVHGDFIUXRH-OLZOCXBDSA-N
MW255.36 g/mol
LogP1.69
Rot. Bonds4

About cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate

cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate (PubChem CID 99785632) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
PubChem CID99785632
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namecis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C14H25NO3/c1-2-18-14(16)13-5-3-4-12(10-13)11-15-6-8-17-9-7-15/h12-13H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyVNKKVHGDFIUXRH-OLZOCXBDSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-
CID 206742
(1-Methylpiperidin-3-yl) cyclohexanecarboxylate
CID 4138791
4-(Morpholin-4-yl)cyclohexane-1-carboxylic acid
CID 23062598
Ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate
CID 155238126
cis-2-(diethylamino)ethyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 206743
(1-Methylpiperidin-3-yl) cyclohexanecarboxylate;hydrochloride
CID 16239455
Methyl 3-(1-methylpiperidin-3-yl)propanoate
CID 83982994
Ethyl 2-(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetate
CID 12143012
Ethyl 4-piperidin-1-ylcyclohexane-1-carboxylate
CID 19701911
2-(4-Morpholinyl)ethyl cyclohexanecarboxylate
CID 21150298
1-(2,2,6,6-Tetramethylpiperidin-1-yl)propan-2-yl cyclohexanecarboxylate
CID 21517304
Methyl 4-morpholin-4-ylcyclohexane-1-carboxylate
CID 23062684

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate (CID 99785632) is cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate is CCOC(=O)[C@H]1CCC[C@@H](CN2CCOCC2)C1.
What is the InChIKey of cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate?
The InChIKey is VNKKVHGDFIUXRH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-14(16)13-5-3-4-12(10-13)11-15-6-8-17-9-7-15/h12-13H,2-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate?
cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 99785632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).