tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate

C18H34N2O3 — CID 56800818

IUPACtert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)7-11-19-8-4-16(5-9-19)6-10-20-12-14-22-15-13-20/h16H,4-15H2,1-3H3
InChIKeyZQSIHVSPOGJXAV-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.15
Rot. Bonds6

About tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate

tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate (PubChem CID 56800818) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
PubChem CID56800818
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)7-11-19-8-4-16(5-9-19)6-10-20-12-14-22-15-13-20/h16H,4-15H2,1-3H3
InChIKeyZQSIHVSPOGJXAV-UHFFFAOYSA-N
XLogP2.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519
tert-butyl 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 115643028
tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15383398
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
methyl 3-[4-(oxan-4-yl)piperidin-1-yl]propanoate
CID 86769727
tert-butyl 3-(3-aminopiperidin-1-yl)propanoate
CID 116662806
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 152973298
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 3-(4,4-dimethylazepan-1-yl)propanoate
CID 113241454
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 115618197

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate?
The IUPAC name of tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate (CID 56800818) is tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate?
The canonical SMILES for tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate is CC(C)(C)OC(=O)CCN1CCC(CCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate?
The InChIKey is ZQSIHVSPOGJXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(21)7-11-19-8-4-16(5-9-19)6-10-20-12-14-22-15-13-20/h16H,4-15H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate?
tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate has a molecular weight of 326.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 56800818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).