2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid

C14H26N2O3 — CID 65055333

IUPAC2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid
SMILESCCC1(C)CC(N2CCN(CC(=O)O)CC2)CCO1
InChIInChI=1S/C14H26N2O3/c1-3-14(2)10-12(4-9-19-14)16-7-5-15(6-8-16)11-13(17)18/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyGEBNOLPVHQUIGN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.04
Rot. Bonds4

About 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid

2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid (PubChem CID 65055333) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid
PubChem CID65055333
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid
SMILESCCC1(C)CC(N2CCN(CC(=O)O)CC2)CCO1
InChIInChI=1S/C14H26N2O3/c1-3-14(2)10-12(4-9-19-14)16-7-5-15(6-8-16)11-13(17)18/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyGEBNOLPVHQUIGN-UHFFFAOYSA-N
XLogP1.04
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Ethyl-2-methyloxan-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266719
Ethyl 2-[4-(cyanomethyl)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-1-yl]acetate
CID 4517376
ethyl 2-[(6R,10R)-4-(cyanomethyl)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-1-yl]acetate
CID 915262
ethyl 2-[(6R,10S)-4-(cyanomethyl)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-1-yl]acetate
CID 1899806
Methyl 2-[4-(cyanomethyl)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-1-yl]acetate
CID 5149869
ethyl 2-[(6S,10R)-4-(cyanomethyl)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-1-yl]acetate
CID 6545692
ethyl 2-[(6S,10S)-4-(cyanomethyl)-10-ethyl-10-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-1-yl]acetate
CID 6581244
3-[4-(2-Ethyl-2-methyloxan-4-yl)piperazin-1-yl]propanoic acid
CID 65053893
1-(2-Ethyl-2-methyloxan-4-yl)piperidine-2-carboxylic acid
CID 65054027
2-[Cyclopropylmethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65054792
2-[4-(2-Propan-2-yloxan-4-yl)piperazin-1-yl]acetic acid
CID 65055242
2-[4-(2-Propyloxan-4-yl)piperazin-1-yl]acetic acid
CID 65055295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid (CID 65055333) is 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid is CCC1(C)CC(N2CCN(CC(=O)O)CC2)CCO1.
What is the InChIKey of 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is GEBNOLPVHQUIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-14(2)10-12(4-9-19-14)16-7-5-15(6-8-16)11-13(17)18/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid?
2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-2-methyloxan-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65055333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).