(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate

C14H27NO3 — CID 106666080

IUPAC(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate
SMILESCOC(C)(C)CCOC(=O)CCC1CCCNC1
InChIInChI=1S/C14H27NO3/c1-14(2,17-3)8-10-18-13(16)7-6-12-5-4-9-15-11-12/h12,15H,4-11H2,1-3H3
InChIKeyYEMCAQHYGNUHLY-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds7

About (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate

(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate (PubChem CID 106666080) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate
PubChem CID106666080
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate
SMILESCOC(C)(C)CCOC(=O)CCC1CCCNC1
InChIInChI=1S/C14H27NO3/c1-14(2,17-3)8-10-18-13(16)7-6-12-5-4-9-15-11-12/h12,15H,4-11H2,1-3H3
InChIKeyYEMCAQHYGNUHLY-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
cyclobutyl 3-piperidin-3-ylpropanoate
CID 62217581
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
propyl 3-cyclopentylpropanoate
CID 43389546
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866
(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
CID 106665968
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate (CID 106666080) is (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate is COC(C)(C)CCOC(=O)CCC1CCCNC1.
What is the InChIKey of (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate?
The InChIKey is YEMCAQHYGNUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,17-3)8-10-18-13(16)7-6-12-5-4-9-15-11-12/h12,15H,4-11H2,1-3H3.
What are the key properties of (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate?
(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate is sourced from PubChem (CID 106666080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).