4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid

C16H22N2O3 — CID 66606490

IUPAC4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid
SMILESCC=Cc1cc(COC)ccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-3-4-14-11-13(12-21-2)5-6-15(14)17-7-9-18(10-8-17)16(19)20/h3-6,11H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyQSDQXUKBFOBWFT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.67
Rot. Bonds4

About 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid

4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid (PubChem CID 66606490) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid
PubChem CID66606490
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid
SMILESCC=Cc1cc(COC)ccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-3-4-14-11-13(12-21-2)5-6-15(14)17-7-9-18(10-8-17)16(19)20/h3-6,11H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyQSDQXUKBFOBWFT-UHFFFAOYSA-N
XLogP2.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2,3,4,5,6-pentafluorophenoxy)carbonyl-2-[(Z)-prop-1-enyl]phenyl]piperazine-1-carboxylic acid
CID 87066982
tert-butyl 4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]piperazine-1-carboxylate
CID 86647188
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9209986
4-[4-bromo-3-(methoxymethyl)phenyl]piperazine-1-carboxylic acid
CID 130302962
4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylic acid
CID 130302997
4-[(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-[(Z)-prop-1-enyl]benzoic acid
CID 66603591
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35688690
4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772255
tert-butyl N-[1-[4-(methoxymethyl)-2-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate
CID 145278901
1-[3-fluoro-4-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 86912160
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
4-[4-ethoxycarbonyl-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 151465294

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid (CID 66606490) is 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid is CC=Cc1cc(COC)ccc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid?
The InChIKey is QSDQXUKBFOBWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-14-11-13(12-21-2)5-6-15(14)17-7-9-18(10-8-17)16(19)20/h3-6,11H,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid?
4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-2-prop-1-enylphenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 66606490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).