ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate

C16H32N2O2 — CID 122453945

IUPACethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate
SMILESCCOC(=O)C(CC)CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-6-13(15(19)20-7-2)12-17-14-8-10-18(11-9-14)16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyKNFKYDISWHFKDA-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate

ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate (PubChem CID 122453945) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate
PubChem CID122453945
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate
SMILESCCOC(=O)C(CC)CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-6-13(15(19)20-7-2)12-17-14-8-10-18(11-9-14)16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyKNFKYDISWHFKDA-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate?
The IUPAC name of ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate (CID 122453945) is ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate.
What is the SMILES notation for ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate?
The canonical SMILES for ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate is CCOC(=O)C(CC)CNC1CCN(C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate?
The InChIKey is KNFKYDISWHFKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-13(15(19)20-7-2)12-17-14-8-10-18(11-9-14)16(3,4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate?
ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate is sourced from PubChem (CID 122453945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).