4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid

C11H20N2O3 — CID 142782094

IUPAC4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C11H20N2O3/c14-11(15)13-6-4-12(5-7-13)9-10-3-1-2-8-16-10/h10H,1-9H2,(H,14,15)
InChIKeyWXYBCARNIJMEQA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.85
Rot. Bonds2

About 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid

4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid (PubChem CID 142782094) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid
PubChem CID142782094
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C11H20N2O3/c14-11(15)13-6-4-12(5-7-13)9-10-3-1-2-8-16-10/h10H,1-9H2,(H,14,15)
InChIKeyWXYBCARNIJMEQA-UHFFFAOYSA-N
XLogP0.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-carboxamide
CID 86768181
4-(Oxolan-2-ylmethyl)piperazine-1-carboxylic acid
CID 22047872
4-(1-Methylpiperidin-3-yl)oxypiperidine-1-carboxylic acid
CID 67216799
2-(5-Methoxypentyl)morpholine-4-carboxylic acid
CID 69189865
2-(Propan-2-yloxymethyl)piperidine-1-carboxylic acid
CID 91083042
(2R)-2-(5-aminopentyl)morpholine-4-carboxylic acid
CID 146599334
2-[4-(Oxan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43521783
3-[4-(Oxan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43522369
2-(4-((tetrahydro-2H-pyran-2-yl)methyl)piperazin-1-yl)ethanol
CID 60645192
N,N-dimethyl-4-[[(2S)-oxan-2-yl]methyl]piperazine-1-carboxamide
CID 95765412
N,N-dimethyl-4-[[(2R)-oxan-2-yl]methyl]piperazine-1-carboxamide
CID 95765413
2-[2-Morpholin-4-ylethyl(oxan-2-ylmethyl)amino]ethanol
CID 111781088

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid (CID 142782094) is 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid?
The InChIKey is WXYBCARNIJMEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(15)13-6-4-12(5-7-13)9-10-3-1-2-8-16-10/h10H,1-9H2,(H,14,15).
What are the key properties of 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid?
4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 142782094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).