piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate

C11H22N2O2 — CID 70248396

IUPACpiperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate
SMILESCN[C@H](C(=O)OC1CCNCC1)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12-3)11(14)15-9-4-6-13-7-5-9/h8-10,12-13H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyCNTDCLAZSBATNW-JTQLQIEISA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds4

About piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate

piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate (PubChem CID 70248396) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namepiperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate
PubChem CID70248396
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepiperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate
SMILESCN[C@H](C(=O)OC1CCNCC1)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12-3)11(14)15-9-4-6-13-7-5-9/h8-10,12-13H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyCNTDCLAZSBATNW-JTQLQIEISA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate?
The IUPAC name of piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate (CID 70248396) is piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate.
What is the SMILES notation for piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate?
The canonical SMILES for piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate is CN[C@H](C(=O)OC1CCNCC1)C(C)C.
What is the InChIKey of piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate?
The InChIKey is CNTDCLAZSBATNW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(12-3)11(14)15-9-4-6-13-7-5-9/h8-10,12-13H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate?
piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl (2S)-3-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 70248396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).