(1-methylpiperidin-4-yl) (2S)-2-aminopropanoate

C9H18N2O2 — CID 61284777

IUPAC(1-methylpiperidin-4-yl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-7(10)9(12)13-8-3-5-11(2)6-4-8/h7-8H,3-6,10H2,1-2H3/t7-/m0/s1
InChIKeyRDCLGIUKVSIEKU-ZETCQYMHSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

About (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate

(1-methylpiperidin-4-yl) (2S)-2-aminopropanoate (PubChem CID 61284777) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) (2S)-2-aminopropanoate
PubChem CID61284777
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1-methylpiperidin-4-yl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OC1CCN(C)CC1
InChIInChI=1S/C9H18N2O2/c1-7(10)9(12)13-8-3-5-11(2)6-4-8/h7-8H,3-6,10H2,1-2H3/t7-/m0/s1
InChIKeyRDCLGIUKVSIEKU-ZETCQYMHSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate?
The IUPAC name of (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate (CID 61284777) is (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate?
The InChIKey is RDCLGIUKVSIEKU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(10)9(12)13-8-3-5-11(2)6-4-8/h7-8H,3-6,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate?
(1-methylpiperidin-4-yl) (2S)-2-aminopropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) (2S)-2-aminopropanoate is sourced from PubChem (CID 61284777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).