2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid

C16H24N2O3 — CID 65065662

IUPAC2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
SMILESCN(C)c1ccc(CN2CCC(OCC(=O)O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-17(2)14-5-3-13(4-6-14)11-18-9-7-15(8-10-18)21-12-16(19)20/h3-6,15H,7-12H2,1-2H3,(H,19,20)
InChIKeyUGTADOSCULAZRT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.82
Rot. Bonds6

About 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid

2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 65065662) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
PubChem CID65065662
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
SMILESCN(C)c1ccc(CN2CCC(OCC(=O)O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-17(2)14-5-3-13(4-6-14)11-18-9-7-15(8-10-18)21-12-16(19)20/h3-6,15H,7-12H2,1-2H3,(H,19,20)
InChIKeyUGTADOSCULAZRT-UHFFFAOYSA-N
XLogP1.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065469
2-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 81441772
2-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 167751876
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 106818963
4-[(1-benzylpiperidin-4-yl)methyl]-N,N-dimethylaniline;(E)-but-2-enedioic acid
CID 19390935
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid (CID 65065662) is 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid is CN(C)c1ccc(CN2CCC(OCC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is UGTADOSCULAZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)14-5-3-13(4-6-14)11-18-9-7-15(8-10-18)21-12-16(19)20/h3-6,15H,7-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65065662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).