methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate

C15H30N2O2 — CID 63054691

IUPACmethyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
SMILESCNC(CCN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-15(2,3)12-6-9-17(10-7-12)11-8-13(16-4)14(18)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyMJIKNGAWSCDRHR-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds5

About methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate

methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate (PubChem CID 63054691) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
PubChem CID63054691
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
SMILESCNC(CCN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-15(2,3)12-6-9-17(10-7-12)11-8-13(16-4)14(18)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyMJIKNGAWSCDRHR-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
methyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054192
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
methyl 4-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)butanoate
CID 103538249
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
CID 62089886
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
CID 63028069
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
4-(4-tert-butylpiperidin-1-yl)butanamide
CID 118531384

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate (CID 63054691) is methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate is CNC(CCN1CCC(C(C)(C)C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate?
The InChIKey is MJIKNGAWSCDRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)12-6-9-17(10-7-12)11-8-13(16-4)14(18)19-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate?
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 63054691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).