4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid

C15H22N2O2 — CID 117410844

IUPAC4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-14(8-9-15(18)19)12-4-6-13(7-5-12)17-10-2-1-3-11-17/h4-7,14H,1-3,8-11,16H2,(H,18,19)
InChIKeyHBEZKPRXLJTDOM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds5

About 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid

4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid (PubChem CID 117410844) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
PubChem CID117410844
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-14(8-9-15(18)19)12-4-6-13(7-5-12)17-10-2-1-3-11-17/h4-7,14H,1-3,8-11,16H2,(H,18,19)
InChIKeyHBEZKPRXLJTDOM-UHFFFAOYSA-N
XLogP2.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
4-amino-4-[4-(3-oxopiperazin-1-yl)phenyl]butanoic acid
CID 117444269
4-amino-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117370535
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
4-amino-4-(4-pyrazol-1-ylphenyl)butanoic acid
CID 117365098
2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 131872358
4-amino-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanoic acid
CID 117470899

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid (CID 117410844) is 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid is NC(CCC(=O)O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
The InChIKey is HBEZKPRXLJTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(8-9-15(18)19)12-4-6-13(7-5-12)17-10-2-1-3-11-17/h4-7,14H,1-3,8-11,16H2,(H,18,19).
What are the key properties of 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid?
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid is sourced from PubChem (CID 117410844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).