2-(piperidin-4-ylmethylamino)acetic acid

C8H16N2O2 — CID 67168932

IUPAC2-(piperidin-4-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8(12)6-10-5-7-1-3-9-4-2-7/h7,9-10H,1-6H2,(H,11,12)
InChIKeyJWGGNKLSISJJES-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.34
Rot. Bonds4

About 2-(piperidin-4-ylmethylamino)acetic acid

2-(piperidin-4-ylmethylamino)acetic acid (PubChem CID 67168932) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylamino)acetic acid
PubChem CID67168932
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(piperidin-4-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8(12)6-10-5-7-1-3-9-4-2-7/h7,9-10H,1-6H2,(H,11,12)
InChIKeyJWGGNKLSISJJES-UHFFFAOYSA-N
XLogP-0.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylamino)acetic acid?
The IUPAC name of 2-(piperidin-4-ylmethylamino)acetic acid (CID 67168932) is 2-(piperidin-4-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(piperidin-4-ylmethylamino)acetic acid?
The canonical SMILES for 2-(piperidin-4-ylmethylamino)acetic acid is O=C(O)CNCC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethylamino)acetic acid?
The InChIKey is JWGGNKLSISJJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8(12)6-10-5-7-1-3-9-4-2-7/h7,9-10H,1-6H2,(H,11,12).
What are the key properties of 2-(piperidin-4-ylmethylamino)acetic acid?
2-(piperidin-4-ylmethylamino)acetic acid has a molecular weight of 172.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylamino)acetic acid is sourced from PubChem (CID 67168932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).