4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid

C14H28N2O2 — CID 167203499

IUPAC4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid
SMILESCCCCN1CCC(N(C)CCCC(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-4-10-16-11-7-13(8-12-16)15(2)9-5-6-14(17)18/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyRVIZTZXDZHDNQA-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.05
Rot. Bonds8

About 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid

4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid (PubChem CID 167203499) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid
PubChem CID167203499
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid
SMILESCCCCN1CCC(N(C)CCCC(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-4-10-16-11-7-13(8-12-16)15(2)9-5-6-14(17)18/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyRVIZTZXDZHDNQA-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid (CID 167203499) is 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid is CCCCN1CCC(N(C)CCCC(=O)O)CC1.
What is the InChIKey of 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid?
The InChIKey is RVIZTZXDZHDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-10-16-11-7-13(8-12-16)15(2)9-5-6-14(17)18/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid?
4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylpiperidin-4-yl)-methylamino]butanoic acid is sourced from PubChem (CID 167203499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).