2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid

C19H30N2O2 — CID 122043222

IUPAC2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-3-21(15-19(22)23)18-10-13-20(14-11-18)12-9-16(2)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,22,23)
InChIKeyZRYHHFCHZHJGLT-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.05
Rot. Bonds8

About 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid (PubChem CID 122043222) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
PubChem CID122043222
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-3-21(15-19(22)23)18-10-13-20(14-11-18)12-9-16(2)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,22,23)
InChIKeyZRYHHFCHZHJGLT-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
CID 122043248
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
2-[4-(3-phenylbutyl)piperazin-1-yl]propanoic acid
CID 65062408
2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 60833703
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92581839
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217
2-[[1-(1-benzofuran-7-ylmethyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122043096
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid (CID 122043222) is 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(CCC(C)c2ccccc2)CC1.
What is the InChIKey of 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is ZRYHHFCHZHJGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-21(15-19(22)23)18-10-13-20(14-11-18)12-9-16(2)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,22,23).
What are the key properties of 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 318.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).