2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid

C20H32N2O3 — CID 122043070

IUPAC2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O3/c1-4-22(14-20(23)24)18-9-11-21(12-10-18)13-17-5-7-19(8-6-17)25-15-16(2)3/h5-8,16,18H,4,9-15H2,1-3H3,(H,23,24)
InChIKeyOIQTZHAXSVFIER-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.09
Rot. Bonds9

About 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122043070) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122043070
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O3/c1-4-22(14-20(23)24)18-9-11-21(12-10-18)13-17-5-7-19(8-6-17)25-15-16(2)3/h5-8,16,18H,4,9-15H2,1-3H3,(H,23,24)
InChIKeyOIQTZHAXSVFIER-UHFFFAOYSA-N
XLogP3.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217
2-[[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043079
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
2-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043247
2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
CID 122043248
2-[[1-[(2-bromo-4-methoxyphenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043148
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
CID 171431363
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid (CID 122043070) is 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(Cc2ccc(OCC(C)C)cc2)CC1.
What is the InChIKey of 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is OIQTZHAXSVFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-22(14-20(23)24)18-9-11-21(12-10-18)13-17-5-7-19(8-6-17)25-15-16(2)3/h5-8,16,18H,4,9-15H2,1-3H3,(H,23,24).
What are the key properties of 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 348.49 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).