2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid

C16H24N2O2 — CID 60965033

IUPAC2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid
SMILESCN(C)c1ccc(C(C)(C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(15(19)20,18-11-5-4-6-12-18)13-7-9-14(10-8-13)17(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyNZPACFYTQIDLFV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid

2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid (PubChem CID 60965033) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid
PubChem CID60965033
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid
SMILESCN(C)c1ccc(C(C)(C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(15(19)20,18-11-5-4-6-12-18)13-7-9-14(10-8-13)17(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyNZPACFYTQIDLFV-UHFFFAOYSA-N
XLogP2.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-(azepan-1-yl)-2-(4-bromophenyl)propanoic acid
CID 61057163
2-(4-methylsulfanylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803548
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803405
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803470
methyl 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanoate
CID 61002598
2-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 61057480
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61342532
3,3,3-trideuterio-2-[4-(dimethylamino)phenyl]-2-(trideuteriomethyl)propanoic acid
CID 131667761
2-(azepan-1-yl)-2-(2,4-dichlorophenyl)propanoic acid
CID 61058559
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid (CID 60965033) is 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid is CN(C)c1ccc(C(C)(C(=O)O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid?
The InChIKey is NZPACFYTQIDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(15(19)20,18-11-5-4-6-12-18)13-7-9-14(10-8-13)17(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid?
2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 60965033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).