4-piperidin-4-ylbutanoic acid

C9H17NO2 — CID 5167702

IUPAC4-piperidin-4-ylbutanoic acid
SMILESO=C(O)CCCC1CCNCC1
InChIInChI=1S/C9H17NO2/c11-9(12)3-1-2-8-4-6-10-7-5-8/h8,10H,1-7H2,(H,11,12)
InChIKeyMSTPNVITZIFFEK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds4

About 4-piperidin-4-ylbutanoic acid

4-piperidin-4-ylbutanoic acid (PubChem CID 5167702) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-piperidin-4-ylbutanoic acid.

Molecular Properties

Compound Name4-piperidin-4-ylbutanoic acid
PubChem CID5167702
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-piperidin-4-ylbutanoic acid
SMILESO=C(O)CCCC1CCNCC1
InChIInChI=1S/C9H17NO2/c11-9(12)3-1-2-8-4-6-10-7-5-8/h8,10H,1-7H2,(H,11,12)
InChIKeyMSTPNVITZIFFEK-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylbutanoic acid?
The IUPAC name of 4-piperidin-4-ylbutanoic acid (CID 5167702) is 4-piperidin-4-ylbutanoic acid.
What is the SMILES notation for 4-piperidin-4-ylbutanoic acid?
The canonical SMILES for 4-piperidin-4-ylbutanoic acid is O=C(O)CCCC1CCNCC1.
What is the InChIKey of 4-piperidin-4-ylbutanoic acid?
The InChIKey is MSTPNVITZIFFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9(12)3-1-2-8-4-6-10-7-5-8/h8,10H,1-7H2,(H,11,12).
What are the key properties of 4-piperidin-4-ylbutanoic acid?
4-piperidin-4-ylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbutanoic acid is sourced from PubChem (CID 5167702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).