methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate

C16H32N2O2 — CID 62091822

IUPACmethyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCC(C(C)(C)C)CC1)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)17-14(15(19)20-6)11-18-9-7-13(8-10-18)16(3,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyIFZVDJMYJGOGPM-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.28
Rot. Bonds5

About methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate

methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate (PubChem CID 62091822) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
PubChem CID62091822
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCC(C(C)(C)C)CC1)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)17-14(15(19)20-6)11-18-9-7-13(8-10-18)16(3,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyIFZVDJMYJGOGPM-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
CID 62089886
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165430
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propanamide
CID 63972759
1-(4-tert-butylpiperidin-1-yl)-N-methylpropan-2-amine
CID 62089869
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
CID 154186971
methyl 2-(propan-2-ylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63153254
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate (CID 62091822) is methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate is COC(=O)C(CN1CCC(C(C)(C)C)CC1)NC(C)C.
What is the InChIKey of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The InChIKey is IFZVDJMYJGOGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)17-14(15(19)20-6)11-18-9-7-13(8-10-18)16(3,4)5/h12-14,17H,7-11H2,1-6H3.
What are the key properties of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 62091822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).