1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid

C20H35NO3 — CID 143903677

IUPAC1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid
SMILESC1CCN(C2CCC2)CC1.CC.CC.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C9H17N.C7H6O3.2C2H6/c1-2-7-10(8-3-1)9-5-4-6-9;8-6-3-1-5(2-4-6)7(9)10;2*1-2/h9H,1-8H2;1-4,8H,(H,9,10);2*1-2H3
InChIKeyOLZBVEMWGYJMHE-UHFFFAOYSA-N
MW337.50 g/mol
LogP5.17
Rot. Bonds2

About 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid

1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid (PubChem CID 143903677) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid.

Molecular Properties

Compound Name1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid
PubChem CID143903677
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid
SMILESC1CCN(C2CCC2)CC1.CC.CC.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C9H17N.C7H6O3.2C2H6/c1-2-7-10(8-3-1)9-5-4-6-9;8-6-3-1-5(2-4-6)7(9)10;2*1-2/h9H,1-8H2;1-4,8H,(H,9,10);2*1-2H3
InChIKeyOLZBVEMWGYJMHE-UHFFFAOYSA-N
XLogP5.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid?
The IUPAC name of 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid (CID 143903677) is 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid.
What is the SMILES notation for 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid?
The canonical SMILES for 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid is C1CCN(C2CCC2)CC1.CC.CC.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid?
The InChIKey is OLZBVEMWGYJMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C7H6O3.2C2H6/c1-2-7-10(8-3-1)9-5-4-6-9;8-6-3-1-5(2-4-6)7(9)10;2*1-2/h9H,1-8H2;1-4,8H,(H,9,10);2*1-2H3.
What are the key properties of 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid?
1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid has a molecular weight of 337.50 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid is sourced from PubChem (CID 143903677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).