2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid

C17H26N2O2 — CID 103246515

IUPAC2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
SMILESCC(CNCc1ccc(CC(=O)O)cc1)N1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-14(19-9-3-2-4-10-19)12-18-13-16-7-5-15(6-8-16)11-17(20)21/h5-8,14,18H,2-4,9-13H2,1H3,(H,20,21)
InChIKeyHPUPQQKNZKZJLP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid

2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid (PubChem CID 103246515) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
PubChem CID103246515
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
SMILESCC(CNCc1ccc(CC(=O)O)cc1)N1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-14(19-9-3-2-4-10-19)12-18-13-16-7-5-15(6-8-16)11-17(20)21/h5-8,14,18H,2-4,9-13H2,1H3,(H,20,21)
InChIKeyHPUPQQKNZKZJLP-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
3-[(2-pyrrolidin-1-ylpropylamino)methyl]thiophene-2-carboxylic acid
CID 103259503
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124
methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82887589
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid (CID 103246515) is 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid is CC(CNCc1ccc(CC(=O)O)cc1)N1CCCCC1.
What is the InChIKey of 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid?
The InChIKey is HPUPQQKNZKZJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(19-9-3-2-4-10-19)12-18-13-16-7-5-15(6-8-16)11-17(20)21/h5-8,14,18H,2-4,9-13H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid?
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid has a molecular weight of 290.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 103246515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).