2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid

C12H24N2O2 — CID 64662613

IUPAC2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
SMILESCCNCC1CCCN(C(CC)C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-11(12(15)16)14-7-5-6-10(9-14)8-13-4-2/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyFGJPCSSHJKXXKC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds6

About 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid

2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid (PubChem CID 64662613) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
PubChem CID64662613
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
SMILESCCNCC1CCCN(C(CC)C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-11(12(15)16)14-7-5-6-10(9-14)8-13-4-2/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyFGJPCSSHJKXXKC-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid (CID 64662613) is 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid is CCNCC1CCCN(C(CC)C(=O)O)C1.
What is the InChIKey of 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid?
The InChIKey is FGJPCSSHJKXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-11(12(15)16)14-7-5-6-10(9-14)8-13-4-2/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid?
2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 64662613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).